1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

C19H22FN7O — CID 120643324

IUPAC1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN7O/c1-12-11-16(24-27(12)15-5-3-14(20)4-6-15)18(28)23-19-22-17(25-26(19)2)13-7-9-21-10-8-13/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25,28)
InChIKeyDTEVJFOOHBATEJ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (PubChem CID 120643324) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
PubChem CID120643324
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN7O/c1-12-11-16(24-27(12)15-5-3-14(20)4-6-15)18(28)23-19-22-17(25-26(19)2)13-7-9-21-10-8-13/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25,28)
InChIKeyDTEVJFOOHBATEJ-UHFFFAOYSA-N
XLogP2.17
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
3-chloro-5-fluoro-2-hydroxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120641658
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644678
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088
1-(3-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120642030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide (CID 120643324) is 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is DTEVJFOOHBATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-12-11-16(24-27(12)15-5-3-14(20)4-6-15)18(28)23-19-22-17(25-26(19)2)13-7-9-21-10-8-13/h3-6,11,13,21H,7-10H2,1-2H3,(H,22,23,25,28).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 120643324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).