2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

C16H25N3O3 — CID 120545169

IUPAC2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)NC2(C)CCCCC2C(=O)O)n[nH]1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)12-9-11(18-19-12)13(20)17-16(4)8-6-5-7-10(16)14(21)22/h9-10H,5-8H2,1-4H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyLPVRPPKDANFUSN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.47
Rot. Bonds3

About 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid

2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120545169) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120545169
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)NC2(C)CCCCC2C(=O)O)n[nH]1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)12-9-11(18-19-12)13(20)17-16(4)8-6-5-7-10(16)14(21)22/h9-10H,5-8H2,1-4H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeyLPVRPPKDANFUSN-UHFFFAOYSA-N
XLogP2.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
2-methyl-2-[(6-phenylpyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 167823229
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545640
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 75516537
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546231
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120545622
2-methyl-2-(1,6-naphthyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 166317364
2-methyl-2-[(2-methylcyclopentene-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545600
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
2-[(4-chlorothiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 154846768
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545480
2-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120546347

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 120545169) is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC(C)(C)c1cc(C(=O)NC2(C)CCCCC2C(=O)O)n[nH]1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is LPVRPPKDANFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-15(2,3)12-9-11(18-19-12)13(20)17-16(4)8-6-5-7-10(16)14(21)22/h9-10H,5-8H2,1-4H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid?
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).