1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide

C16H23N5O3S — CID 91626349

IUPAC1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H23N5O3S/c1-11-15(12(2)21(3)19-11)25(22,23)20-13-5-7-14(8-6-13)24-16-17-9-4-10-18-16/h4,9-10,13-14,20H,5-8H2,1-3H3
InChIKeyCRAYRWKZFBPTLP-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.50
Rot. Bonds5

About 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide (PubChem CID 91626349) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
PubChem CID91626349
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H23N5O3S/c1-11-15(12(2)21(3)19-11)25(22,23)20-13-5-7-14(8-6-13)24-16-17-9-4-10-18-16/h4,9-10,13-14,20H,5-8H2,1-3H3
InChIKeyCRAYRWKZFBPTLP-UHFFFAOYSA-N
XLogP1.50
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide (CID 91626349) is 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is CRAYRWKZFBPTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-11-15(12(2)21(3)19-11)25(22,23)20-13-5-7-14(8-6-13)24-16-17-9-4-10-18-16/h4,9-10,13-14,20H,5-8H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 91626349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).