N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H15F2N3O — CID 110472944

IUPACN-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-8-13(9(2)19(3)18-8)14(20)17-7-10-6-11(15)4-5-12(10)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyMSYSGGFPSHMSGR-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.25
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 110472944) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID110472944
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-8-13(9(2)19(3)18-8)14(20)17-7-10-6-11(15)4-5-12(10)16/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyMSYSGGFPSHMSGR-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105376837
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 154750113
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111901773
1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
CID 19281603
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
1-[5-[(2,5-difluorophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364544

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 110472944) is N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is MSYSGGFPSHMSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-13(9(2)19(3)18-8)14(20)17-7-10-6-11(15)4-5-12(10)16/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110472944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).