1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide

C22H18ClN3O3 — CID 3967292

IUPAC1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H18ClN3O3/c1-28-18-5-2-4-15(12-18)20-13-21(22(27)24-14-19-6-3-11-29-19)26(25-20)17-9-7-16(23)8-10-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyDKIPGEDZEDISCC-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 3967292) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID3967292
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H18ClN3O3/c1-28-18-5-2-4-15(12-18)20-13-21(22(27)24-14-19-6-3-11-29-19)26(25-20)17-9-7-16(23)8-10-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyDKIPGEDZEDISCC-UHFFFAOYSA-N
XLogP4.72
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)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

Related Compounds

N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3958289
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
[1-(4-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 5167647
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
3-(3-methoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3589101

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide (CID 3967292) is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is DKIPGEDZEDISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-28-18-5-2-4-15(12-18)20-13-21(22(27)24-14-19-6-3-11-29-19)26(25-20)17-9-7-16(23)8-10-17/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).