N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide

C12H18N4O2 — CID 67556183

IUPACN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)[C@H](CC1CCCC1)NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H18N4O2/c13-11(17)10(5-8-3-1-2-4-8)16-12(18)9-6-14-15-7-9/h6-8,10H,1-5H2,(H2,13,17)(H,14,15)(H,16,18)/t10-/m0/s1
InChIKeyAAKVGGGDQQUUCR-JTQLQIEISA-N
MW250.30 g/mol
LogP0.57
Rot. Bonds5

About N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide

N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 67556183) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID67556183
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)[C@H](CC1CCCC1)NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H18N4O2/c13-11(17)10(5-8-3-1-2-4-8)16-12(18)9-6-14-15-7-9/h6-8,10H,1-5H2,(H2,13,17)(H,14,15)(H,16,18)/t10-/m0/s1
InChIKeyAAKVGGGDQQUUCR-JTQLQIEISA-N
XLogP0.57
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61249302
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
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N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 122150161
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
CID 124608848
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
CID 124608849
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CID 154773227
N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 43532977
N-(2-aminocyclopentyl)-1H-pyrazole-4-carboxamide
CID 63251785
N-[(2S)-1-(cyclopentylamino)-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide (CID 67556183) is N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide is NC(=O)[C@H](CC1CCCC1)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is AAKVGGGDQQUUCR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11(17)10(5-8-3-1-2-4-8)16-12(18)9-6-14-15-7-9/h6-8,10H,1-5H2,(H2,13,17)(H,14,15)(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide?
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67556183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).