4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 115441025

IUPAC4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C(C)n2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-11-4-6-15(7-5-11,14(20)21)10-16-13(19)12(2)18-9-3-8-17-18/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNHVCQTRSRLBQDG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds5

About 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115441025) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115441025
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)C(C)n2cccn2)(C(=O)O)CC1
InChIInChI=1S/C15H23N3O3/c1-11-4-6-15(7-5-11,14(20)21)10-16-13(19)12(2)18-9-3-8-17-18/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyNHVCQTRSRLBQDG-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81363026
1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
1-(2-pyrazol-1-ylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453195
1-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442610
1-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440880
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
(2S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide
CID 98752523
2-methyl-3-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 62676010
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 115441025) is 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)C(C)n2cccn2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NHVCQTRSRLBQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-4-6-15(7-5-11,14(20)21)10-16-13(19)12(2)18-9-3-8-17-18/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-pyrazol-1-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).