3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C21H17FN4O2 — CID 74243157

IUPAC3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C21H17FN4O2/c22-18-9-2-1-8-17(18)19-12-20(25-24-19)21(27)26(14-16-7-5-11-28-16)13-15-6-3-4-10-23-15/h1-12H,13-14H2,(H,24,25)
InChIKeyLBCVUYXFLPQAQC-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.05
Rot. Bonds6

About 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 74243157) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID74243157
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2F)n[nH]1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C21H17FN4O2/c22-18-9-2-1-8-17(18)19-12-20(25-24-19)21(27)26(14-16-7-5-11-28-16)13-15-6-3-4-10-23-15/h1-12H,13-14H2,(H,24,25)
InChIKeyLBCVUYXFLPQAQC-UHFFFAOYSA-N
XLogP4.05
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-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 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 74243157) is 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(c1cc(-c2ccccc2F)n[nH]1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LBCVUYXFLPQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-18-9-2-1-8-17(18)19-12-20(25-24-19)21(27)26(14-16-7-5-11-28-16)13-15-6-3-4-10-23-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74243157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).