(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C16H15ClN4O — CID 3748020

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1
InChIInChI=1S/C16H15ClN4O/c1-10-9-11(2)20(18-10)16(22)14-12(3)19-21(15(14)17)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyLCJMOUVSEAAXJQ-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.34
Rot. Bonds2

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 3748020) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID3748020
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1
InChIInChI=1S/C16H15ClN4O/c1-10-9-11(2)20(18-10)16(22)14-12(3)19-21(15(14)17)13-7-5-4-6-8-13/h4-9H,1-3H3
InChIKeyLCJMOUVSEAAXJQ-UHFFFAOYSA-N
XLogP3.34
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769460
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CID 7742106
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1147396
N-[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 60591215
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
5-chloro-N'-(2,4-dimethylbenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 18225535
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 155964290
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 3748020) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is LCJMOUVSEAAXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-10-9-11(2)20(18-10)16(22)14-12(3)19-21(15(14)17)13-7-5-4-6-8-13/h4-9H,1-3H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 314.78 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 3748020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).