3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C17H13Cl2N3O — CID 17464648

IUPAC3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl2N3O/c18-14-5-1-3-12(9-14)11-22-16(7-8-20-22)21-17(23)13-4-2-6-15(19)10-13/h1-10H,11H2,(H,21,23)
InChIKeyHHLLDBGCHMEIQZ-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds4

About 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide

3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 17464648) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID17464648
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl2N3O/c18-14-5-1-3-12(9-14)11-22-16(7-8-20-22)21-17(23)13-4-2-6-15(19)10-13/h1-10H,11H2,(H,21,23)
InChIKeyHHLLDBGCHMEIQZ-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]thiadiazole-5-carboxamide
CID 51090020
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 75472314
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
(E)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 17482295
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27831460
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55667829
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 17464648) is 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is HHLLDBGCHMEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-5-1-3-12(9-14)11-22-16(7-8-20-22)21-17(23)13-4-2-6-15(19)10-13/h1-10H,11H2,(H,21,23).
What are the key properties of 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 17464648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).