5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C84H97Cl2N31OS — CID 160979546

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccccc1)c1cc(N)n2nccc2n1.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Cc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12
InChIInChI=1S/C18H19N5O.C16H16Cl2N6.C15H17N5.C12H17N5.C12H12N4S.C11H16N6/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;17-12-2-1-11(9-13(12)18)22-5-7-23(8-6-22)16-10-14(19)24-15(21-16)3-4-20-24;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12;1-7-5-14-17-9(13)4-10(15-11(7)17)16-3-2-8(12)6-16/h1-5,9,11-12,20H,6-8,10,19H2;1-4,9-10H,5-8,19H2;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;1-2,5-8H,3-4,13H2;4-5,8H,2-3,6,12-13H2,1H3/t12-;;;9-;;8-/m1..1.0/s1
InChIKeySZIFWVXBAXIVBR-RQLWNGHKSA-N
MW1659.89 g/mol
LogP10.06
Rot. Bonds16

About 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160979546) has the molecular formula C84H97Cl2N31OS and a molecular weight of 1659.89 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID160979546
Molecular FormulaC84H97Cl2N31OS
Molecular Weight1659.89 g/mol
Exact Mass1657.76
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccccc1)c1cc(N)n2nccc2n1.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Cc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12
InChIInChI=1S/C18H19N5O.C16H16Cl2N6.C15H17N5.C12H17N5.C12H12N4S.C11H16N6/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;17-12-2-1-11(9-13(12)18)22-5-7-23(8-6-22)16-10-14(19)24-15(21-16)3-4-20-24;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12;1-7-5-14-17-9(13)4-10(15-11(7)17)16-3-2-8(12)6-16/h1-5,9,11-12,20H,6-8,10,19H2;1-4,9-10H,5-8,19H2;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;1-2,5-8H,3-4,13H2;4-5,8H,2-3,6,12-13H2,1H3/t12-;;;9-;;8-/m1..1.0/s1
InChIKeySZIFWVXBAXIVBR-RQLWNGHKSA-N
XLogP10.06
TPSA417.37 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.89
LogP ≤ 510.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 160979546) is 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCN(Cc1ccccc1)c1cc(N)n2nccc2n1.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Cc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2ccnn12.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SZIFWVXBAXIVBR-RQLWNGHKSA-N. The full InChI is InChI=1S/C18H19N5O.C16H16Cl2N6.C15H17N5.C12H17N5.C12H12N4S.C11H16N6/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;17-12-2-1-11(9-13(12)18)22-5-7-23(8-6-22)16-10-14(19)24-15(21-16)3-4-20-24;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12;1-7-5-14-17-9(13)4-10(15-11(7)17)16-3-2-8(12)6-16/h1-5,9,11-12,20H,6-8,10,19H2;1-4,9-10H,5-8,19H2;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;1-2,5-8H,3-4,13H2;4-5,8H,2-3,6,12-13H2,1H3/t12-;;;9-;;8-/m1..1.0/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1659.89 g/mol, XLogP of 10.06, 16 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160979546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).