2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid

C12H17N3O3 — CID 54926515

IUPAC2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)C2CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-14-7-9(6-13-14)12(18)15(8-11(16)17)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyBTTGGPOSKORXAN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds4

About 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid

2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 54926515) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID54926515
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)C2CCCC2)cn1
InChIInChI=1S/C12H17N3O3/c1-14-7-9(6-13-14)12(18)15(8-11(16)17)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyBTTGGPOSKORXAN-UHFFFAOYSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-1-methylpyrazole-4-carboxamide
CID 55186075
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 79266390
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 60800702
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500473
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid
CID 136556228
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
CID 54926471

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid (CID 54926515) is 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid is Cn1cc(C(=O)N(CC(=O)O)C2CCCC2)cn1.
What is the InChIKey of 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is BTTGGPOSKORXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-7-9(6-13-14)12(18)15(8-11(16)17)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 54926515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).