4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 120524563

IUPAC4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H21N3O3/c1-2-7-17-9-11(8-15-17)13(18)16-12-5-3-10(4-6-12)14(19)20/h8-10,12H,2-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyABOXMKHUNPWQOV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.67
Rot. Bonds5

About 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120524563) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120524563
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCn1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C14H21N3O3/c1-2-7-17-9-11(8-15-17)13(18)16-12-5-3-10(4-6-12)14(19)20/h8-10,12H,2-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyABOXMKHUNPWQOV-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
CID 116587054
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
1-[3-(cyclopropylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622515
(1-propylpyrazol-4-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944048
(4-butylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 114963777
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807901
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120524563) is 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CCCn1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ABOXMKHUNPWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-7-17-9-11(8-15-17)13(18)16-12-5-3-10(4-6-12)14(19)20/h8-10,12H,2-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).