1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine

C18H27N5O2S — CID 90507644

IUPAC1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
SMILESCCCCS(=O)(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-5-14-26(24,25)22-12-10-21(11-13-22)18-15(2)20-23(16(18)3)17-8-6-7-9-19-17/h6-9H,4-5,10-14H2,1-3H3
InChIKeyUAXREFYYPXGGIX-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.14
Rot. Bonds6

About 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine

1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine (PubChem CID 90507644) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
PubChem CID90507644
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
SMILESCCCCS(=O)(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-5-14-26(24,25)22-12-10-21(11-13-22)18-15(2)20-23(16(18)3)17-8-6-7-9-19-17/h6-9H,4-5,10-14H2,1-3H3
InChIKeyUAXREFYYPXGGIX-UHFFFAOYSA-N
XLogP2.14
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 90507660
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90508069
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 90507927

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine?
The IUPAC name of 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine (CID 90507644) is 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine is CCCCS(=O)(=O)N1CCN(c2c(C)nn(-c3ccccn3)c2C)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine?
The InChIKey is UAXREFYYPXGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-4-5-14-26(24,25)22-12-10-21(11-13-22)18-15(2)20-23(16(18)3)17-8-6-7-9-19-17/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine?
1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine has a molecular weight of 377.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine is sourced from PubChem (CID 90507644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).