N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

C22H18ClN3O2 — CID 55874837

IUPACN-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2cccc(Cl)c2)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H18ClN3O2/c23-19-8-4-9-20(12-19)26-15-18(13-24-26)22(27)25(16-21-10-5-11-28-21)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2
InChIKeyCHNWJPXFUXUIAY-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.96
Rot. Bonds6

About N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 55874837) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID55874837
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(c1cnn(-c2cccc(Cl)c2)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H18ClN3O2/c23-19-8-4-9-20(12-19)26-15-18(13-24-26)22(27)25(16-21-10-5-11-28-21)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2
InChIKeyCHNWJPXFUXUIAY-UHFFFAOYSA-N
XLogP4.96
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
1-(3-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 55875521
N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 56500434
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907655
1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55871353
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (CID 55874837) is N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is O=C(c1cnn(-c2cccc(Cl)c2)c1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is CHNWJPXFUXUIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-19-8-4-9-20(12-19)26-15-18(13-24-26)22(27)25(16-21-10-5-11-28-21)14-17-6-2-1-3-7-17/h1-13,15H,14,16H2.
What are the key properties of N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?
N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55874837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).