1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H29N3O3 — CID 120545060

IUPAC1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C1CC1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-22-16(14-6-7-14)15(10-21-22)17(23)20-12-19(18(24)25)8-4-3-5-9-19/h10,13-14H,3-9,11-12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyPJBQUBBUHRSPQG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.18
Rot. Bonds7

About 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120545060) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120545060
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C1CC1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-22-16(14-6-7-14)15(10-21-22)17(23)20-12-19(18(24)25)8-4-3-5-9-19/h10,13-14H,3-9,11-12H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyPJBQUBBUHRSPQG-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 138035250
2-[2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526692
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 120522827
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534713
5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478202
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109666
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120545060) is 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(C)Cn1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C1CC1.
What is the InChIKey of 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PJBQUBBUHRSPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)11-22-16(14-6-7-14)15(10-21-22)17(23)20-12-19(18(24)25)8-4-3-5-9-19/h10,13-14H,3-9,11-12H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).