4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 43163100

IUPAC4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-11-3-6-14(7-4-11,13(19)20)16-12(18)5-10-17-9-2-8-15-17/h2,8-9,11H,3-7,10H2,1H3,(H,16,18)(H,19,20)
InChIKeyXLVYUWMEKLIHDD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds5

About 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 43163100) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID43163100
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-11-3-6-14(7-4-11,13(19)20)16-12(18)5-10-17-9-2-8-15-17/h2,8-9,11H,3-7,10H2,1H3,(H,16,18)(H,19,20)
InChIKeyXLVYUWMEKLIHDD-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(2-pyrazol-1-ylethylamino)cyclohexane-1-carboxylate
CID 71873670
4-Ethyl-1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120203352
4-Methyl-1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 121699123
4,4-Difluoro-1-[(2-methyl-2-pyrazol-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 166317404
Methyl 4-ethyl-1-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
CID 72102570
2-Pyrazol-1-ylethyl 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 75364550
1-(1-Pyrazolyl)cyclohexanecarboxylic Acid
CID 82235104
2-Methyl-5-[(2-methylcyclohexyl)amino]-5-oxo-2-pyrazol-1-ylpentanoic acid
CID 175341211
2,3-Dimethyl-4-[(2-methylcyclohexyl)amino]-4-oxo-2-pyrazol-1-ylbutanoic acid
CID 175341214
Methyl 1-pyrazol-1-ylcyclohexane-1-carboxylate
CID 176004359
2-(4-Pyrazol-1-ylcyclohexyl)propanoic acid
CID 176308536
2-(4-Pyrazol-1-ylcyclohexyl)acetic acid
CID 176308601

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid (CID 43163100) is 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)CCn2cccn2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XLVYUWMEKLIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-3-6-14(7-4-11,13(19)20)16-12(18)5-10-17-9-2-8-15-17/h2,8-9,11H,3-7,10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).