2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide

C17H13Cl2N3O — CID 5348678

IUPAC2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C17H13Cl2N3O/c1-10-2-4-11(5-3-10)15-9-16(22-21-15)20-17(23)13-7-6-12(18)8-14(13)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyXMRYNIWPNPPDQO-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.94
Rot. Bonds3

About 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide

2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 5348678) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID5348678
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C17H13Cl2N3O/c1-10-2-4-11(5-3-10)15-9-16(22-21-15)20-17(23)13-7-6-12(18)8-14(13)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyXMRYNIWPNPPDQO-UHFFFAOYSA-N
XLogP4.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
ethyl (E)-3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]but-2-enoate
CID 786793
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide (CID 5348678) is 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3Cl)n[nH]2)cc1.
What is the InChIKey of 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is XMRYNIWPNPPDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-10-2-4-11(5-3-10)15-9-16(22-21-15)20-17(23)13-7-6-12(18)8-14(13)19/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 5348678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).