1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide

C18H16ClN3O2 — CID 155533083

IUPAC1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-17(11-21-22(12)15-7-5-14(19)6-8-15)18(24)20-10-13-3-2-4-16(23)9-13/h2-9,11,23H,10H2,1H3,(H,20,24)
InChIKeyVUWKOUZAMYZDGS-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 155533083) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
PubChem CID155533083
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-17(11-21-22(12)15-7-5-14(19)6-8-15)18(24)20-10-13-3-2-4-16(23)9-13/h2-9,11,23H,10H2,1H3,(H,20,24)
InChIKeyVUWKOUZAMYZDGS-UHFFFAOYSA-N
XLogP3.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide (CID 155533083) is 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(O)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is VUWKOUZAMYZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-17(11-21-22(12)15-7-5-14(19)6-8-15)18(24)20-10-13-3-2-4-16(23)9-13/h2-9,11,23H,10H2,1H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 155533083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).