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

C18H21N3O4 — CID 119229795

IUPAC4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21N3O4/c1-25-15-11-21(14-5-3-2-4-6-14)20-16(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyKUJARMZZAUEDBE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.25
Rot. Bonds5

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

4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229795) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229795
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21N3O4/c1-25-15-11-21(14-5-3-2-4-6-14)20-16(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyKUJARMZZAUEDBE-UHFFFAOYSA-N
XLogP2.25
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229795) is 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is COc1cn(-c2ccccc2)nc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KUJARMZZAUEDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-25-15-11-21(14-5-3-2-4-6-14)20-16(15)17(22)19-13-9-7-12(8-10-13)18(23)24/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).