5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide

C19H17N7O — CID 41360742

IUPAC5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)cnn1-c1ccccc1
InChIInChI=1S/C19H17N7O/c1-13-17(12-20-26(13)16-9-4-3-5-10-16)19(27)21-15-8-6-7-14(11-15)18-22-23-24-25(18)2/h3-12H,1-2H3,(H,21,27)
InChIKeyXDLSUFVBYPVKBQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.62
Rot. Bonds4

About 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 41360742) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID41360742
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)cnn1-c1ccccc1
InChIInChI=1S/C19H17N7O/c1-13-17(12-20-26(13)16-9-4-3-5-10-16)19(27)21-15-8-6-7-14(11-15)18-22-23-24-25(18)2/h3-12H,1-2H3,(H,21,27)
InChIKeyXDLSUFVBYPVKBQ-UHFFFAOYSA-N
XLogP2.62
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
CID 26124459
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 46576352
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
5-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 122284883
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34441538
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide (CID 41360742) is 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is XDLSUFVBYPVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-13-17(12-20-26(13)16-9-4-3-5-10-16)19(27)21-15-8-6-7-14(11-15)18-22-23-24-25(18)2/h3-12H,1-2H3,(H,21,27).
What are the key properties of 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 41360742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).