N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide

C11H19N3O3S — CID 71994323

IUPACN-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide
SMILESCCCn1cc(NC(=O)CS(=O)(=O)CCC)cn1
InChIInChI=1S/C11H19N3O3S/c1-3-5-14-8-10(7-12-14)13-11(15)9-18(16,17)6-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)
InChIKeyWLQONQPCEYAPPG-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.06
Rot. Bonds7

About N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide

N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide (PubChem CID 71994323) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide
PubChem CID71994323
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide
SMILESCCCn1cc(NC(=O)CS(=O)(=O)CCC)cn1
InChIInChI=1S/C11H19N3O3S/c1-3-5-14-8-10(7-12-14)13-11(15)9-18(16,17)6-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15)
InChIKeyWLQONQPCEYAPPG-UHFFFAOYSA-N
XLogP1.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethanesulfonyl)ethyl]-1H-pyrazol-4-amine
CID 43807774
3-(4-amino-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 137942247
2-(2-methoxyethylsulfanyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 45814918
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
CID 47200248
2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 71875451
3-(2-methylpropylsulfonyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 71875501
N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
CID 75393034
1-(1,1-Dioxothiolan-3-yl)pyrazol-4-amine
CID 43531699
N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078937
2-butylsulfanyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]propanamide
CID 56791732
(2S)-2-butylsulfanyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]propanamide
CID 95629216
(2R)-2-butylsulfanyl-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]propanamide
CID 95629217

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide?
The IUPAC name of N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide (CID 71994323) is N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide is CCCn1cc(NC(=O)CS(=O)(=O)CCC)cn1.
What is the InChIKey of N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide?
The InChIKey is WLQONQPCEYAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-5-14-8-10(7-12-14)13-11(15)9-18(16,17)6-4-2/h7-8H,3-6,9H2,1-2H3,(H,13,15).
What are the key properties of N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide?
N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide has a molecular weight of 273.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazol-4-yl)-2-propylsulfonylacetamide is sourced from PubChem (CID 71994323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).