N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C19H33N3O2S — CID 42282291

IUPACN,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)21-14-19(16(3)20-21)25(23,24)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3
InChIKeyWGSBCYAGIKLKFY-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.43
Rot. Bonds5

About N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282291) has the molecular formula C19H33N3O2S and a molecular weight of 367.56 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282291
Molecular FormulaC19H33N3O2S
Molecular Weight367.56 g/mol
Exact Mass367.23
IUPAC NameN,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33N3O2S/c1-15(2)21-14-19(16(3)20-21)25(23,24)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3
InChIKeyWGSBCYAGIKLKFY-UHFFFAOYSA-N
XLogP4.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282291) is N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is WGSBCYAGIKLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2S/c1-15(2)21-14-19(16(3)20-21)25(23,24)22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h14-15,17-18H,4-13H2,1-3H3.
What are the key properties of N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 367.56 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).