N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide

C19H14ClN3O2 — CID 86968691

IUPACN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-7-16(8-6-15)23-12-13(11-22-23)10-21-19(24)18-9-14-3-1-2-4-17(14)25-18/h1-9,11-12H,10H2,(H,21,24)
InChIKeyWOQRJKKIKQELQP-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.20
Rot. Bonds4

About N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 86968691) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID86968691
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H14ClN3O2/c20-15-5-7-16(8-6-15)23-12-13(11-22-23)10-21-19(24)18-9-14-3-1-2-4-17(14)25-18/h1-9,11-12H,10H2,(H,21,24)
InChIKeyWOQRJKKIKQELQP-UHFFFAOYSA-N
XLogP4.20
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylfuran-2-carboxamide
CID 86968268
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86968449
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86968301
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136902466
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 86968691) is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1cnn(-c2ccc(Cl)cc2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WOQRJKKIKQELQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-5-7-16(8-6-15)23-12-13(11-22-23)10-21-19(24)18-9-14-3-1-2-4-17(14)25-18/h1-9,11-12H,10H2,(H,21,24).
What are the key properties of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86968691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).