N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide

C19H15N3O2 — CID 166197616

IUPACN-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCn1cc(NC(=O)c2cc3ccccc3o2)c(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O2/c1-22-12-15(18(21-22)13-7-3-2-4-8-13)20-19(23)17-11-14-9-5-6-10-16(14)24-17/h2-12H,1H3,(H,20,23)
InChIKeyAABSYUYIIUKGJX-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.09
Rot. Bonds3

About N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide

N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 166197616) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
PubChem CID166197616
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCn1cc(NC(=O)c2cc3ccccc3o2)c(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O2/c1-22-12-15(18(21-22)13-7-3-2-4-8-13)20-19(23)17-11-14-9-5-6-10-16(14)24-17/h2-12H,1H3,(H,20,23)
InChIKeyAABSYUYIIUKGJX-UHFFFAOYSA-N
XLogP4.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide (CID 166197616) is N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide is Cn1cc(NC(=O)c2cc3ccccc3o2)c(-c2ccccc2)n1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is AABSYUYIIUKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-12-15(18(21-22)13-7-3-2-4-8-13)20-19(23)17-11-14-9-5-6-10-16(14)24-17/h2-12H,1H3,(H,20,23).
What are the key properties of N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166197616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).