2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

C13H20N4O3 — CID 107414546

IUPAC2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCC1CCC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H20N4O3/c1-9-2-3-10(4-9)5-14-13(20)16-11-6-15-17(7-11)8-12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyMSUHPBQMQCTFTD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.53
Rot. Bonds5

About 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 107414546) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID107414546
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
SMILESCC1CCC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C13H20N4O3/c1-9-2-3-10(4-9)5-14-13(20)16-11-6-15-17(7-11)8-12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyMSUHPBQMQCTFTD-UHFFFAOYSA-N
XLogP1.53
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
2-[4-(thiolan-2-ylmethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 80586575
2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 115867060
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 79082782
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[(5-methyl-3-pyridinyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107586035
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid (CID 107414546) is 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is CC1CCC(CNC(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is MSUHPBQMQCTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-2-3-10(4-9)5-14-13(20)16-11-6-15-17(7-11)8-12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,16,20).
What are the key properties of 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylcyclopentyl)methylcarbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107414546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).