5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C100H123BrN26O3 — CID 159035099

IUPAC5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)c1.Cc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)cc(C3CC[C@@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.O=C=O
InChIInChI=1S/C20H22N4.C19H22N4.C18H20N4.C17H25N5O.C13H17BrN4.C12H17N5.CO2/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;1-13-6-5-9-15(10-13)16-12-21-23-18(20)11-17(22-19(16)23)14-7-3-2-4-8-14;19-17-11-16(14-9-5-2-6-10-14)21-18-15(12-20-22(17)18)13-7-3-1-4-8-13;18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;2-1-3/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;5-6,9-12,14H,2-4,7-8,20H2,1H3;1,3-4,7-8,11-12,14H,2,5-6,9-10,19H2;10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;/b12-11+;;;;;;/t;;;;;8?,9-;/m.....1./s1
InChIKeyJVJBRPJPZMRWHI-RLVMWWJHSA-N
MW1817.17 g/mol
LogP19.14
Rot. Bonds12

About 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159035099) has the molecular formula C100H123BrN26O3 and a molecular weight of 1817.17 g/mol. Its IUPAC name is 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159035099
Molecular FormulaC100H123BrN26O3
Molecular Weight1817.17 g/mol
Exact Mass1814.95
IUPAC Name5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)c1.Cc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)cc(C3CC[C@@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.O=C=O
InChIInChI=1S/C20H22N4.C19H22N4.C18H20N4.C17H25N5O.C13H17BrN4.C12H17N5.CO2/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;1-13-6-5-9-15(10-13)16-12-21-23-18(20)11-17(22-19(16)23)14-7-3-2-4-8-14;19-17-11-16(14-9-5-2-6-10-14)21-18-15(12-20-22(17)18)13-7-3-1-4-8-13;18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;2-1-3/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;5-6,9-12,14H,2-4,7-8,20H2,1H3;1,3-4,7-8,11-12,14H,2,5-6,9-10,19H2;10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;/b12-11+;;;;;;/t;;;;;8?,9-;/m.....1./s1
InChIKeyJVJBRPJPZMRWHI-RLVMWWJHSA-N
XLogP19.14
TPSA409.89 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.17
LogP ≤ 519.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159035099) is 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)c1.Cc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)cc(C3CC[C@@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.O=C=O.
What is the InChIKey of 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JVJBRPJPZMRWHI-RLVMWWJHSA-N. The full InChI is InChI=1S/C20H22N4.C19H22N4.C18H20N4.C17H25N5O.C13H17BrN4.C12H17N5.CO2/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;1-13-6-5-9-15(10-13)16-12-21-23-18(20)11-17(22-19(16)23)14-7-3-2-4-8-14;19-17-11-16(14-9-5-2-6-10-14)21-18-15(12-20-22(17)18)13-7-3-1-4-8-13;18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;2-1-3/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;5-6,9-12,14H,2-4,7-8,20H2,1H3;1,3-4,7-8,11-12,14H,2,5-6,9-10,19H2;10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;/b12-11+;;;;;;/t;;;;;8?,9-;/m.....1./s1.
What are the key properties of 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1817.17 g/mol, XLogP of 19.14, 12 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).