1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide

C17H20N6O — CID 139349856

IUPAC1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C17H20N6O/c1-12(9-16-20-18-11-22(16)2)13-5-4-6-14(10-13)19-17(24)15-7-8-23(3)21-15/h4-8,10-12H,9H2,1-3H3,(H,19,24)/t12-/m1/s1
InChIKeyAJCPVKVNILKKTL-GFCCVEGCSA-N
MW324.39 g/mol
LogP2.15
Rot. Bonds5

About 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide

1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 139349856) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID139349856
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccn(C)n2)c1
InChIInChI=1S/C17H20N6O/c1-12(9-16-20-18-11-22(16)2)13-5-4-6-14(10-13)19-17(24)15-7-8-23(3)21-15/h4-8,10-12H,9H2,1-3H3,(H,19,24)/t12-/m1/s1
InChIKeyAJCPVKVNILKKTL-GFCCVEGCSA-N
XLogP2.15
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide (CID 139349856) is 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2ccn(C)n2)c1.
What is the InChIKey of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is AJCPVKVNILKKTL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12(9-16-20-18-11-22(16)2)13-5-4-6-14(10-13)19-17(24)15-7-8-23(3)21-15/h4-8,10-12H,9H2,1-3H3,(H,19,24)/t12-/m1/s1.
What are the key properties of 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 139349856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).