1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H20N4O4 — CID 119128240

IUPAC1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H20N4O4/c19-15(23)14-11-13(21-22(14)12-7-3-1-4-8-12)16(24)20-18(17(25)26)9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,19,23)(H,20,24)(H,25,26)
InChIKeyHCGUCDWVZOWOHZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.49
Rot. Bonds5

About 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119128240) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119128240
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C18H20N4O4/c19-15(23)14-11-13(21-22(14)12-7-3-1-4-8-12)16(24)20-18(17(25)26)9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,19,23)(H,20,24)(H,25,26)
InChIKeyHCGUCDWVZOWOHZ-UHFFFAOYSA-N
XLogP1.49
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
1-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538696
1-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120515048
3-[(3-carbamoyloxolan-3-yl)carbamoyl]-1-phenylpyrazole-5-carboxylic acid
CID 167812983
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119146327

Frequently Asked Questions

What is the IUPAC name of 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119128240) is 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is NC(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1ccccc1.
What is the InChIKey of 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HCGUCDWVZOWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c19-15(23)14-11-13(21-22(14)12-7-3-1-4-8-12)16(24)20-18(17(25)26)9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,19,23)(H,20,24)(H,25,26).
What are the key properties of 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119128240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).