N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide

C12H18N4O2 — CID 38016196

IUPACN-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1cn[nH]c1
InChIInChI=1S/C12H18N4O2/c17-11(16-10-7-14-15-8-10)5-6-13-12(18)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyOKFVSAKIZNLBJV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.04
Rot. Bonds5

About N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide

N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide (PubChem CID 38016196) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide
PubChem CID38016196
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1cn[nH]c1
InChIInChI=1S/C12H18N4O2/c17-11(16-10-7-14-15-8-10)5-6-13-12(18)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyOKFVSAKIZNLBJV-UHFFFAOYSA-N
XLogP1.04
TPSA86.88 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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
CID 154844606
2-(2-bicyclo[2.2.1]heptanyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429525
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
N-[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 60322506
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226132
3-fluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 126794159

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide (CID 38016196) is N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)Nc1cn[nH]c1.
What is the InChIKey of N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide?
The InChIKey is OKFVSAKIZNLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-11(16-10-7-14-15-8-10)5-6-13-12(18)9-3-1-2-4-9/h7-9H,1-6H2,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide?
N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1H-pyrazol-4-ylamino)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 38016196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).