2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 120546524

IUPAC2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(9-4-3-5-12(15)14(20)21)17-13(19)7-6-11-8-10-16-18(11)2/h8,10,12H,3-7,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyIQULGDKXKOODAX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.50
Rot. Bonds5

About 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid

2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 120546524) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID120546524
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-15(9-4-3-5-12(15)14(20)21)17-13(19)7-6-11-8-10-16-18(11)2/h8,10,12H,3-7,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyIQULGDKXKOODAX-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546495
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546221
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546523
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 135117034
2-[3-(2,5-dimethoxyphenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545156
2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545195
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
acetic acid;N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 171710618
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid (CID 120546524) is 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid is Cn1nccc1CCC(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IQULGDKXKOODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(9-4-3-5-12(15)14(20)21)17-13(19)7-6-11-8-10-16-18(11)2/h8,10,12H,3-7,9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid?
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).