1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide

C18H18N8O — CID 167946881

IUPAC1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCc1cnn(-c2c(C(=O)Nc3nncn3-c3ccccc3)c(C)nn2C)c1
InChIInChI=1S/C18H18N8O/c1-12-9-20-26(10-12)17-15(13(2)23-24(17)3)16(27)21-18-22-19-11-25(18)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,22,27)
InChIKeyUYXNXNJLDGNGEB-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.06
Rot. Bonds4

About 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide

1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (PubChem CID 167946881) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
PubChem CID167946881
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCc1cnn(-c2c(C(=O)Nc3nncn3-c3ccccc3)c(C)nn2C)c1
InChIInChI=1S/C18H18N8O/c1-12-9-20-26(10-12)17-15(13(2)23-24(17)3)16(27)21-18-22-19-11-25(18)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,22,27)
InChIKeyUYXNXNJLDGNGEB-UHFFFAOYSA-N
XLogP2.06
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
CID 86782432
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazol-4-yl]methanone
CID 136587775
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
(E)-4-fluoro-N-(4-phenyl-1,2,4-triazol-3-yl)but-2-enamide
CID 167841210
N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 167928589
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491
N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75445136
(3S)-1-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 124739466
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)-2,4-dioxo-3-phenylpyrimidine-5-carboxamide
CID 118652798
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281708
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
3-(2-oxopyrrolidin-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
CID 75398220

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (CID 167946881) is 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is Cc1cnn(-c2c(C(=O)Nc3nncn3-c3ccccc3)c(C)nn2C)c1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is UYXNXNJLDGNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-12-9-20-26(10-12)17-15(13(2)23-24(17)3)16(27)21-18-22-19-11-25(18)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,21,22,27).
What are the key properties of 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167946881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).