1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide

C16H14F3N5O — CID 35761971

IUPAC1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25)
InChIKeyRNQPDBVYKPHZBB-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.19
Rot. Bonds3

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

1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 35761971) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
PubChem CID35761971
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1
InChIInChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25)
InChIKeyRNQPDBVYKPHZBB-UHFFFAOYSA-N
XLogP3.19
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide (CID 35761971) is 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccn(C)n2)cc1.
What is the InChIKey of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is RNQPDBVYKPHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-9-14(16(17,18)19)22-24(10)12-5-3-11(4-6-12)20-15(25)13-7-8-23(2)21-13/h3-9H,1-2H3,(H,20,25).
What are the key properties of 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).