2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 66120397

IUPAC2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1cc(C(=O)NC2CCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-9-8-12(17(4-2)16-9)13(18)15-11-7-5-6-10(11)14(19)20/h8,10-11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyOURHRBDZENBNRB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds5

About 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66120397) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66120397
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCc1cc(C(=O)NC2CCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-9-8-12(17(4-2)16-9)13(18)15-11-7-5-6-10(11)14(19)20/h8,10-11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyOURHRBDZENBNRB-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 71972240
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66119836
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
5-(cyclobutylcarbamoyl)-1-ethylpyrazole-3-carboxylic acid
CID 117218440
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114301286
(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
CID 105102372
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
cis-(1S,2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 146109119

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66120397) is 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CCc1cc(C(=O)NC2CCCC2C(=O)O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OURHRBDZENBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-9-8-12(17(4-2)16-9)13(18)15-11-7-5-6-10(11)14(19)20/h8,10-11H,3-7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66120397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).