1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C20H15ClN4O2 — CID 1053527

IUPAC1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c21-15-5-1-6-16(10-15)25-18(11-17(24-25)19-7-3-9-27-19)20(26)23-13-14-4-2-8-22-12-14/h1-12H,13H2,(H,23,26)
InChIKeyBBWYQJKMTUQJAO-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.11
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 1053527) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID1053527
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN4O2/c21-15-5-1-6-16(10-15)25-18(11-17(24-25)19-7-3-9-27-19)20(26)23-13-14-4-2-8-22-12-14/h1-12H,13H2,(H,23,26)
InChIKeyBBWYQJKMTUQJAO-UHFFFAOYSA-N
XLogP4.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3327558
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4215643
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493046

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 1053527) is 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is BBWYQJKMTUQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-5-1-6-16(10-15)25-18(11-17(24-25)19-7-3-9-27-19)20(26)23-13-14-4-2-8-22-12-14/h1-12H,13H2,(H,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).