3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 63043268

IUPAC3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)13(18)15-11-6-4-5-10(7-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyAATHJXAKHRJLDE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds3

About 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63043268) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63043268
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)13(18)15-11-6-4-5-10(7-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyAATHJXAKHRJLDE-UHFFFAOYSA-N
XLogP1.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carboxamide
CID 4866509
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119458545
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726
N-(4-tert-butylcyclohexyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575849
N-[2-(hydroxymethyl)cyclohexyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106364538
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031336
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
1,3,5-trimethyl-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 62896612
N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 63627481
cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 106319981
1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide
CID 60520229

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63043268) is 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nn(C)c(C)c1C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AATHJXAKHRJLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-12(9(2)17(3)16-8)13(18)15-11-6-4-5-10(7-11)14(19)20/h10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).