2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine

C15H22N6O2S — CID 167978295

IUPAC2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1c(S(=O)(=O)N2CCN(c3ncccn3)CC2)cnn1C(C)C
InChIInChI=1S/C15H22N6O2S/c1-12(2)21-13(3)14(11-18-21)24(22,23)20-9-7-19(8-10-20)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPWCBORSPANXESG-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine

2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (PubChem CID 167978295) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
PubChem CID167978295
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
SMILESCc1c(S(=O)(=O)N2CCN(c3ncccn3)CC2)cnn1C(C)C
InChIInChI=1S/C15H22N6O2S/c1-12(2)21-13(3)14(11-18-21)24(22,23)20-9-7-19(8-10-20)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPWCBORSPANXESG-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
2-[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 52567580
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
3-[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-1,2-benzothiazole
CID 46970754
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
4-[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-6-(2-methylphenyl)pyrimidine
CID 53006626
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51390538
4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylaniline
CID 22688881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine (CID 167978295) is 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is Cc1c(S(=O)(=O)N2CCN(c3ncccn3)CC2)cnn1C(C)C.
What is the InChIKey of 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
The InChIKey is PWCBORSPANXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-12(2)21-13(3)14(11-18-21)24(22,23)20-9-7-19(8-10-20)15-16-5-4-6-17-15/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine?
2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine has a molecular weight of 350.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 167978295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).