N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C17H14ClN3O2 — CID 2040201

IUPACN-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-10-6-7-11(8-13(10)18)19-17(23)15-9-14(20-21-15)12-4-2-3-5-16(12)22/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyCGQAGJCBCMOFMQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.00
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2040201) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2040201
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-10-6-7-11(8-13(10)18)19-17(23)15-9-14(20-21-15)12-4-2-3-5-16(12)22/h2-9,22H,1H3,(H,19,23)(H,20,21)
InChIKeyCGQAGJCBCMOFMQ-UHFFFAOYSA-N
XLogP4.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 2040201) is N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CGQAGJCBCMOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-6-7-11(8-13(10)18)19-17(23)15-9-14(20-21-15)12-4-2-3-5-16(12)22/h2-9,22H,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2040201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).