3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide

C18H17F2N3O2 — CID 46105469

IUPAC3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C18H17F2N3O2/c1-3-23-17(18(24)22(2)11-13-5-4-8-25-13)10-16(21-23)12-6-7-14(19)15(20)9-12/h4-10H,3,11H2,1-2H3
InChIKeySUIXNWLXSRULEX-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.71
Rot. Bonds5

About 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide

3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide (PubChem CID 46105469) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide
PubChem CID46105469
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C18H17F2N3O2/c1-3-23-17(18(24)22(2)11-13-5-4-8-25-13)10-16(21-23)12-6-7-14(19)15(20)9-12/h4-10H,3,11H2,1-2H3
InChIKeySUIXNWLXSRULEX-UHFFFAOYSA-N
XLogP3.71
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-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

Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
4-benzyl-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 46111541
5-[cyclopropylmethyl(propyl)amino]-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165441
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 18109842
2-ethyl-5-[furan-2-ylmethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 120820691
3-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525222

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide (CID 46105469) is 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide is CCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N(C)Cc1ccco1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide?
The InChIKey is SUIXNWLXSRULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-3-23-17(18(24)22(2)11-13-5-4-8-25-13)10-16(21-23)12-6-7-14(19)15(20)9-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide?
3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46105469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).