N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

C18H16F2N4O2 — CID 47803983

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2OC(F)F)c(-c2cccnc2)n1
InChIInChI=1S/C18H16F2N4O2/c1-24-11-14(16(23-24)13-6-4-8-21-9-13)17(25)22-10-12-5-2-3-7-15(12)26-18(19)20/h2-9,11,18H,10H2,1H3,(H,22,25)
InChIKeyKAPREIPSOJCSSJ-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.01
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 47803983) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID47803983
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2OC(F)F)c(-c2cccnc2)n1
InChIInChI=1S/C18H16F2N4O2/c1-24-11-14(16(23-24)13-6-4-8-21-9-13)17(25)22-10-12-5-2-3-7-15(12)26-18(19)20/h2-9,11,18H,10H2,1H3,(H,22,25)
InChIKeyKAPREIPSOJCSSJ-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 47803983) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2OC(F)F)c(-c2cccnc2)n1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is KAPREIPSOJCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-24-11-14(16(23-24)13-6-4-8-21-9-13)17(25)22-10-12-5-2-3-7-15(12)26-18(19)20/h2-9,11,18H,10H2,1H3,(H,22,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).