4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine

C14H12N4O2S — CID 4244141

IUPAC4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccncn3)cn2)cc1
InChIInChI=1S/C14H12N4O2S/c1-21(19,20)13-4-2-12(3-5-13)18-9-11(8-17-18)14-6-7-15-10-16-14/h2-10H,1H3
InChIKeyRPBXPXIEPNFPFI-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.73
Rot. Bonds3

About 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine

4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine (PubChem CID 4244141) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine
PubChem CID4244141
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccncn3)cn2)cc1
InChIInChI=1S/C14H12N4O2S/c1-21(19,20)13-4-2-12(3-5-13)18-9-11(8-17-18)14-6-7-15-10-16-14/h2-10H,1H3
InChIKeyRPBXPXIEPNFPFI-UHFFFAOYSA-N
XLogP1.73
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide
CID 4085181
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
2-[2-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethynyl]pyridine
CID 130205700
6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 5065256
4-(azidomethyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 59406424
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165472374
4-(3-chloro-4-methylsulfonylphenyl)pyrimidine
CID 71282748
4-[1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazol-4-yl]pyrimidine
CID 67562664
tert-butyl N-[[3-fluoro-5-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenyl]methyl]carbamate
CID 170765514
6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 4236852
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine (CID 4244141) is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine is CS(=O)(=O)c1ccc(-n2cc(-c3ccncn3)cn2)cc1.
What is the InChIKey of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine?
The InChIKey is RPBXPXIEPNFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-21(19,20)13-4-2-12(3-5-13)18-9-11(8-17-18)14-6-7-15-10-16-14/h2-10H,1H3.
What are the key properties of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine?
4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine has a molecular weight of 300.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 4244141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).