5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C17H16ClN3O3 — CID 892212

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
InChIInChI=1S/C17H16ClN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyMVHCKAGWKATJMF-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.12
Rot. Bonds6

About 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 892212) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID892212
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1
InChIInChI=1S/C17H16ClN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyMVHCKAGWKATJMF-UHFFFAOYSA-N
XLogP3.12
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-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

5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
4-chloro-3-methylphenyl [5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl ether
CID 841187
methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
CID 3153926
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
CID 6873479
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
2-(4-{(E)-[2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)hydrazinylidene]methyl}-3-phenyl-1H-pyrazol-1-yl)acetamide
CID 9617630
[5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-yl]-(4-methyl-piperazin-1-yl)-methanone
CID 24792477
(3-methyl-1-benzofuran-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1246317
N'-(3-chlorobenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410785
N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818
N'-(4-isopropylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5412129
1-(1,3-benzodioxol-5-ylmethyl)-4-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}piperazine
CID 6603679

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 892212) is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is MVHCKAGWKATJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 892212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).