1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C19H23N3O3 — CID 120544806

IUPAC1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-14-16(12-22(21-14)15-8-4-2-5-9-15)17(23)20-13-19(18(24)25)10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,23)(H,24,25)
InChIKeyCHSLNVAFSRDKBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds5

About 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544806) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544806
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-14-16(12-22(21-14)15-8-4-2-5-9-15)17(23)20-13-19(18(24)25)10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,23)(H,24,25)
InChIKeyCHSLNVAFSRDKBE-UHFFFAOYSA-N
XLogP2.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-methyl-1-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544247
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544922
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
1-[[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544333
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
1-[[(1,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543687
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 120544806) is 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1nn(-c2ccccc2)cc1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CHSLNVAFSRDKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-16(12-22(21-14)15-8-4-2-5-9-15)17(23)20-13-19(18(24)25)10-6-3-7-11-19/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).