2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

C14H21N3O3 — CID 60825576

IUPAC2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H21N3O3/c1-9-13(10(2)16(3)15-9)14(20)17(8-12(18)19)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyQBXKWCBCTWITOJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds4

About 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 60825576) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID60825576
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H21N3O3/c1-9-13(10(2)16(3)15-9)14(20)17(8-12(18)19)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19)
InChIKeyQBXKWCBCTWITOJ-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 54996660
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 54945892
2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 154740857
2-[cyclopropyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 119194742
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
2-[cyclopentyl-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]acetic acid
CID 60825419
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120977124

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (CID 60825576) is 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C)c(C)c1C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is QBXKWCBCTWITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-13(10(2)16(3)15-9)14(20)17(8-12(18)19)11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).