5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid

C20H18N4O3 — CID 134325357

IUPAC5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C20H18N4O3/c1-12-2-3-13(19(25)23-16-4-5-16)7-18(12)15-9-22-24(11-15)17-6-14(20(26)27)8-21-10-17/h2-3,6-11,16H,4-5H2,1H3,(H,23,25)(H,26,27)
InChIKeyMGTIYFMSWKQCER-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.83
Rot. Bonds5

About 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid

5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 134325357) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID134325357
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(=O)O)c2)c1
InChIInChI=1S/C20H18N4O3/c1-12-2-3-13(19(25)23-16-4-5-16)7-18(12)15-9-22-24(11-15)17-6-14(20(26)27)8-21-10-17/h2-3,6-11,16H,4-5H2,1H3,(H,23,25)(H,26,27)
InChIKeyMGTIYFMSWKQCER-UHFFFAOYSA-N
XLogP2.83
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 134325357) is 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C(=O)O)c2)c1.
What is the InChIKey of 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MGTIYFMSWKQCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-2-3-13(19(25)23-16-4-5-16)7-18(12)15-9-22-24(11-15)17-6-14(20(26)27)8-21-10-17/h2-3,6-11,16H,4-5H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid?
5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).