1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole

C17H19ClN4O2S — CID 47075928

IUPAC1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)CCn1cccn1
InChIInChI=1S/C17H19ClN4O2S/c1-14-16(13-25(23,24)11-10-21-9-5-8-19-21)17(18)22(20-14)12-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyWEBVHLVMMGPXFW-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.70
Rot. Bonds7

About 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole

1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole (PubChem CID 47075928) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole
PubChem CID47075928
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)CCn1cccn1
InChIInChI=1S/C17H19ClN4O2S/c1-14-16(13-25(23,24)11-10-21-9-5-8-19-21)17(18)22(20-14)12-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyWEBVHLVMMGPXFW-UHFFFAOYSA-N
XLogP2.70
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylsulfonylmethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 60531081
3-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylsulfonyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 47075904
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 78810000
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 111336286
1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
1-benzyl-5-chloro-3-methyl-4-[[(R)-naphthalen-1-ylmethylsulfinyl]methyl]pyrazole
CID 95064214
1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 55831195
N-ethyl-N,3,5-trimethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-sulfonamide
CID 56827263
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 24571479
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole (CID 47075928) is 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole is Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)CCn1cccn1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole?
The InChIKey is WEBVHLVMMGPXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-14-16(13-25(23,24)11-10-21-9-5-8-19-21)17(18)22(20-14)12-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole?
1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole has a molecular weight of 378.89 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-4-(2-pyrazol-1-ylethylsulfonylmethyl)pyrazole is sourced from PubChem (CID 47075928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).