4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 66120116

IUPAC4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1cc(C(=O)NC2CCC(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-8-12(17(2)16-10)13(18)15-11-6-4-9(5-7-11)14(19)20/h8-9,11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyGTFCAELEYADFFY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.36
Rot. Bonds4

About 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 66120116) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID66120116
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1cc(C(=O)NC2CCC(C(=O)O)CC2)n(C)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-8-12(17(2)16-10)13(18)15-11-6-4-9(5-7-11)14(19)20/h8-9,11H,3-7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyGTFCAELEYADFFY-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114301286
(3-ethyl-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 105104856
N-(4-acetamidocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 136558388
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 66120116) is 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is CCc1cc(C(=O)NC2CCC(C(=O)O)CC2)n(C)n1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GTFCAELEYADFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-8-12(17(2)16-10)13(18)15-11-6-4-9(5-7-11)14(19)20/h8-9,11H,3-7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66120116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).