N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide

C14H25N3O3S — CID 75510645

IUPACN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)n1
InChIInChI=1S/C14H25N3O3S/c1-11-9-12(2)17(15-11)10-13(18)16(14(3,4)5)7-8-21(6,19)20/h9H,7-8,10H2,1-6H3
InChIKeyIJSUTNUKIKDHSA-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.17
Rot. Bonds5

About N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide

N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 75510645) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID75510645
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCc1cc(C)n(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)n1
InChIInChI=1S/C14H25N3O3S/c1-11-9-12(2)17(15-11)10-13(18)16(14(3,4)5)7-8-21(6,19)20/h9H,7-8,10H2,1-6H3
InChIKeyIJSUTNUKIKDHSA-UHFFFAOYSA-N
XLogP1.17
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}thiomorpholine
CID 753141
N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 45804050
3,5-Dimethyl-1-[[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53623307
3,5-Dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 56780577
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 56781750
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone
CID 45505384
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}acetamide
CID 91911016
2-Cyclopropyl-9-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3,3-dioxo-4,5,7,8,10,10a-hexahydropyrazino[2,1-d][1,2,5]thiadiazepin-1-one
CID 124077225
1-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-3-sulfanylpropan-1-one
CID 177681347
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 56757142
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(1,1-dioxido-2,3-dihydro-3-thienyl)propanamide
CID 91840119
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293078

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide (CID 75510645) is N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide is Cc1cc(C)n(CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is IJSUTNUKIKDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-9-12(2)17(15-11)10-13(18)16(14(3,4)5)7-8-21(6,19)20/h9H,7-8,10H2,1-6H3.
What are the key properties of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 75510645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).