5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O — CID 124873073

IUPAC5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2n1
InChIInChI=1S/C21H25N5O/c1-16-9-13-26-20(24-16)19(15-23-26)21(27)22-14-18-8-5-11-25(18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,15,18H,5,8,10-12,14H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyAXQYWFKQZVPEBO-GOSISDBHSA-N
MW363.47 g/mol
LogP2.47
Rot. Bonds6

About 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 124873073) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID124873073
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2n1
InChIInChI=1S/C21H25N5O/c1-16-9-13-26-20(24-16)19(15-23-26)21(27)22-14-18-8-5-11-25(18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,15,18H,5,8,10-12,14H2,1H3,(H,22,27)/t18-/m1/s1
InChIKeyAXQYWFKQZVPEBO-GOSISDBHSA-N
XLogP2.47
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119512184
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 155950546
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97073098
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 120886612
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693104
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
[2-(aminomethyl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119467896
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 95074858

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 124873073) is 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NC[C@H]3CCCN3CCc3ccccc3)c2n1.
What is the InChIKey of 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXQYWFKQZVPEBO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-9-13-26-20(24-16)19(15-23-26)21(27)22-14-18-8-5-11-25(18)12-10-17-6-3-2-4-7-17/h2-4,6-7,9,13,15,18H,5,8,10-12,14H2,1H3,(H,22,27)/t18-/m1/s1.
What are the key properties of 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 124873073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).