N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

C19H14ClN3O2 — CID 46107046

IUPACN-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)oc2ccccc12
InChIInChI=1S/C19H14ClN3O2/c1-12-15-7-2-3-8-16(15)25-18(12)19(24)21-17-9-10-23(22-17)14-6-4-5-13(20)11-14/h2-11H,1H3,(H,21,22,24)
InChIKeyNSSHHTHGJQVGPN-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.83
Rot. Bonds3

About N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46107046) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46107046
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)oc2ccccc12
InChIInChI=1S/C19H14ClN3O2/c1-12-15-7-2-3-8-16(15)25-18(12)19(24)21-17-9-10-23(22-17)14-6-4-5-13(20)11-14/h2-11H,1H3,(H,21,22,24)
InChIKeyNSSHHTHGJQVGPN-UHFFFAOYSA-N
XLogP4.83
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 17420094
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
5-(4-chlorophenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 24665378
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 46107046) is N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)oc2ccccc12.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NSSHHTHGJQVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-12-15-7-2-3-8-16(15)25-18(12)19(24)21-17-9-10-23(22-17)14-6-4-5-13(20)11-14/h2-11H,1H3,(H,21,22,24).
What are the key properties of N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide?
N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46107046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).