[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

C19H27N5O3S — CID 56572262

IUPAC[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cnn1-c1ccccn1
InChIInChI=1S/C19H27N5O3S/c1-15(2)18-16(14-21-24(18)17-6-4-5-7-20-17)19(25)23-10-8-22(9-11-23)12-13-28(3,26)27/h4-7,14-15H,8-13H2,1-3H3
InChIKeyWCJUICJPKFNRJI-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.19
Rot. Bonds6

About [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 56572262) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID56572262
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cnn1-c1ccccn1
InChIInChI=1S/C19H27N5O3S/c1-15(2)18-16(14-21-24(18)17-6-4-5-7-20-17)19(25)23-10-8-22(9-11-23)12-13-28(3,26)27/h4-7,14-15H,8-13H2,1-3H3
InChIKeyWCJUICJPKFNRJI-UHFFFAOYSA-N
XLogP1.19
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46427084
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46445625
2-(4-fluorophenyl)-1-[4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 46433118
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 43070211
N-cyclohexyl-4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazine-1-carboxamide
CID 55651023
N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38040355
[3-(2-fluoroethoxy)azetidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 126837168
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridinyl)methanone
CID 56533625
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605128
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533740
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 38035639

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 56572262) is [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is CC(C)c1c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cnn1-c1ccccn1.
What is the InChIKey of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is WCJUICJPKFNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-15(2)18-16(14-21-24(18)17-6-4-5-7-20-17)19(25)23-10-8-22(9-11-23)12-13-28(3,26)27/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 405.52 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 56572262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).