3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide

C11H19N3OS — CID 115665363

IUPAC3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3OS/c1-7-9(8(2)14-13-7)10(15)12-6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyRKCHBLIXGRCWPQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds4

About 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 115665363) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID115665363
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
SMILESCSC(C)(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3OS/c1-7-9(8(2)14-13-7)10(15)12-6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyRKCHBLIXGRCWPQ-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 153981152
3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
CID 176912979
N-((1r,4r)-4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55062584
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 132228172
3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582806
3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43603368
N-butyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876875
3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876956
N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 55009426
N-cyclopropyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 55009428
N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60890286
N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60958551

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide (CID 115665363) is 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide is CSC(C)(C)CNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RKCHBLIXGRCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-9(8(2)14-13-7)10(15)12-6-11(3,4)16-5/h6H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115665363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).