N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide

C17H12BrF3N4O — CID 2810250

IUPACN-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)c1cccnc1
InChIInChI=1S/C17H12BrF3N4O/c1-25-15(23-16(26)11-3-2-8-22-9-11)13(14(24-25)17(19,20)21)10-4-6-12(18)7-5-10/h2-9H,1H3,(H,23,26)
InChIKeyBRDWUAMKSQKZRN-UHFFFAOYSA-N
MW425.21 g/mol
LogP4.52
Rot. Bonds3

About N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide

N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (PubChem CID 2810250) has the molecular formula C17H12BrF3N4O and a molecular weight of 425.21 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
PubChem CID2810250
Molecular FormulaC17H12BrF3N4O
Molecular Weight425.21 g/mol
Exact Mass424.01
IUPAC NameN-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide
SMILESCn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)c1cccnc1
InChIInChI=1S/C17H12BrF3N4O/c1-25-15(23-16(26)11-3-2-8-22-9-11)13(14(24-25)17(19,20)21)10-4-6-12(18)7-5-10/h2-9H,1H3,(H,23,26)
InChIKeyBRDWUAMKSQKZRN-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide (CID 2810250) is N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is Cn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is BRDWUAMKSQKZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N4O/c1-25-15(23-16(26)11-3-2-8-22-9-11)13(14(24-25)17(19,20)21)10-4-6-12(18)7-5-10/h2-9H,1H3,(H,23,26).
What are the key properties of N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide?
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 425.21 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2810250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).