4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide

C18H16ClN3O — CID 34846987

IUPAC4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H16ClN3O/c1-12-11-13(2)22(21-12)17-9-7-16(8-10-17)20-18(23)14-3-5-15(19)6-4-14/h3-11H,1-2H3,(H,20,23)
InChIKeyDSBGGVRLZHNNJW-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

About 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide

4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide (PubChem CID 34846987) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
PubChem CID34846987
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C18H16ClN3O/c1-12-11-13(2)22(21-12)17-9-7-16(8-10-17)20-18(23)14-3-5-15(19)6-4-14/h3-11H,1-2H3,(H,20,23)
InChIKeyDSBGGVRLZHNNJW-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244398
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 9204418
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide (CID 34846987) is 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide is Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is DSBGGVRLZHNNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-11-13(2)22(21-12)17-9-7-16(8-10-17)20-18(23)14-3-5-15(19)6-4-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 325.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 34846987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).