3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

C23H20ClN3O — CID 2986824

IUPAC3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O/c1-15-22(25-23(28)18-9-6-11-20(24)13-18)16(2)27(26-15)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyCXNNOJGFKIPFIQ-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.61
Rot. Bonds4

About 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 2986824) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID2986824
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O/c1-15-22(25-23(28)18-9-6-11-20(24)13-18)16(2)27(26-15)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13H,14H2,1-2H3,(H,25,28)
InChIKeyCXNNOJGFKIPFIQ-UHFFFAOYSA-N
XLogP5.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19396090
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442219
3-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088711
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-diethoxybenzamide
CID 19412064
methyl 2-[[4-[(3-methoxybenzoyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19406621
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546
1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 2957512
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 1272887
3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 35525665

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (CID 2986824) is 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is CXNNOJGFKIPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-15-22(25-23(28)18-9-6-11-20(24)13-18)16(2)27(26-15)14-19-10-5-8-17-7-3-4-12-21(17)19/h3-13H,14H2,1-2H3,(H,25,28).
What are the key properties of 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 2986824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).