1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

C29H27N5O3 — CID 46612038

IUPAC1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C29H27N5O3/c1-20-26(29(36)34(32(20)2)23-14-8-5-9-15-23)30-28(35)25-19-33(18-21-11-6-4-7-12-21)31-27(25)22-13-10-16-24(17-22)37-3/h4-17,19H,18H2,1-3H3,(H,30,35)
InChIKeyOPZFEHSWZWPNLU-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.66
Rot. Bonds7

About 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 46612038) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID46612038
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C29H27N5O3/c1-20-26(29(36)34(32(20)2)23-14-8-5-9-15-23)30-28(35)25-19-33(18-21-11-6-4-7-12-21)31-27(25)22-13-10-16-24(17-22)37-3/h4-17,19H,18H2,1-3H3,(H,30,35)
InChIKeyOPZFEHSWZWPNLU-UHFFFAOYSA-N
XLogP4.66
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide (CID 46612038) is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is OPZFEHSWZWPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-20-26(29(36)34(32(20)2)23-14-8-5-9-15-23)30-28(35)25-19-33(18-21-11-6-4-7-12-21)31-27(25)22-13-10-16-24(17-22)37-3/h4-17,19H,18H2,1-3H3,(H,30,35).
What are the key properties of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46612038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).