1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H20N4O3 — CID 62904289

IUPAC1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C13H20N4O3/c1-9(2)17-8-10(7-14-17)15-12(20)16-13(11(18)19)5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyLFCBHLWSGVMDQY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.98
Rot. Bonds4

About 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 62904289) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID62904289
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)n1cc(NC(=O)NC2(C(=O)O)CCCC2)cn1
InChIInChI=1S/C13H20N4O3/c1-9(2)17-8-10(7-14-17)15-12(20)16-13(11(18)19)5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyLFCBHLWSGVMDQY-UHFFFAOYSA-N
XLogP1.98
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163360
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82765529
1-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 75511870
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61209991
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 62904289) is 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)n1cc(NC(=O)NC2(C(=O)O)CCCC2)cn1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LFCBHLWSGVMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)17-8-10(7-14-17)15-12(20)16-13(11(18)19)5-3-4-6-13/h7-9H,3-6H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).