2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide

C15H12ClN3O2 — CID 106685695

IUPAC2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1ccoc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-14-13(6-7-21-14)15(20)17-8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,20)
InChIKeyOSKVRVHNTZUPTN-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide

2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide (PubChem CID 106685695) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
PubChem CID106685695
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1ccoc1Cl
InChIInChI=1S/C15H12ClN3O2/c16-14-13(6-7-21-14)15(20)17-8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,20)
InChIKeyOSKVRVHNTZUPTN-UHFFFAOYSA-N
XLogP3.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
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
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide (CID 106685695) is 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide?
The InChIKey is OSKVRVHNTZUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-14-13(6-7-21-14)15(20)17-8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,20).
What are the key properties of 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide?
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106685695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).