3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C14H23N5O — CID 125157238

IUPAC3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)[nH]n1
InChIInChI=1S/C14H23N5O/c15-13-7-12(17-18-13)14(20)16-8-10-5-6-19(9-10)11-3-1-2-4-11/h7,10-11H,1-6,8-9H2,(H,16,20)(H3,15,17,18)/t10-/m0/s1
InChIKeyOGSQSQVKAVNHCN-JTQLQIEISA-N
MW277.37 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 125157238) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID125157238
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)[nH]n1
InChIInChI=1S/C14H23N5O/c15-13-7-12(17-18-13)14(20)16-8-10-5-6-19(9-10)11-3-1-2-4-11/h7,10-11H,1-6,8-9H2,(H,16,20)(H3,15,17,18)/t10-/m0/s1
InChIKeyOGSQSQVKAVNHCN-JTQLQIEISA-N
XLogP0.99
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 77087273
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 125157238) is 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)[nH]n1.
What is the InChIKey of 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OGSQSQVKAVNHCN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O/c15-13-7-12(17-18-13)14(20)16-8-10-5-6-19(9-10)11-3-1-2-4-11/h7,10-11H,1-6,8-9H2,(H,16,20)(H3,15,17,18)/t10-/m0/s1.
What are the key properties of 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 125157238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).