N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C17H17F3N6O — CID 139360881

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C17H17F3N6O/c1-10(6-15-25-21-9-26(15)2)11-4-3-5-12(7-11)22-16(27)13-8-14(24-23-13)17(18,19)20/h3-5,7-10H,6H2,1-2H3,(H,22,27)(H,23,24)/t10-/m1/s1
InChIKeyYPLVNTUSEPVWAC-SNVBAGLBSA-N
MW378.36 g/mol
LogP3.16
Rot. Bonds5

About N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 139360881) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID139360881
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C17H17F3N6O/c1-10(6-15-25-21-9-26(15)2)11-4-3-5-12(7-11)22-16(27)13-8-14(24-23-13)17(18,19)20/h3-5,7-10H,6H2,1-2H3,(H,22,27)(H,23,24)/t10-/m1/s1
InChIKeyYPLVNTUSEPVWAC-SNVBAGLBSA-N
XLogP3.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 139360881) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YPLVNTUSEPVWAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-10(6-15-25-21-9-26(15)2)11-4-3-5-12(7-11)22-16(27)13-8-14(24-23-13)17(18,19)20/h3-5,7-10H,6H2,1-2H3,(H,22,27)(H,23,24)/t10-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 139360881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).