2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C17H19N5O2S — CID 167932161

IUPAC2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCCn4nc(C)cc43)cn2)cc1
InChIInChI=1S/C17H19N5O2S/c1-13-4-6-15(7-5-13)21-12-16(11-18-21)25(23,24)22-9-3-8-20-17(22)10-14(2)19-20/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyKLPSWPXPYKHAHD-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 167932161) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID167932161
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-n2cc(S(=O)(=O)N3CCCn4nc(C)cc43)cn2)cc1
InChIInChI=1S/C17H19N5O2S/c1-13-4-6-15(7-5-13)21-12-16(11-18-21)25(23,24)22-9-3-8-20-17(22)10-14(2)19-20/h4-7,10-12H,3,8-9H2,1-2H3
InChIKeyKLPSWPXPYKHAHD-UHFFFAOYSA-N
XLogP2.28
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-2-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 124694947
[(2R)-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanesulfonamide
CID 97257956
3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
CID 119981903
N-methyl-1-[1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990922
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 154796771
7-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,6-naphthyridine
CID 134999699
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226
N-(cyclopropylmethyl)-1-(4-methylphenyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 99607094
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 95354370
1-(1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 167932161) is 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1ccc(-n2cc(S(=O)(=O)N3CCCn4nc(C)cc43)cn2)cc1.
What is the InChIKey of 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is KLPSWPXPYKHAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-13-4-6-15(7-5-13)21-12-16(11-18-21)25(23,24)22-9-3-8-20-17(22)10-14(2)19-20/h4-7,10-12H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 357.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167932161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).