N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide

C14H21N3O3S — CID 71874061

IUPACN-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)14(18)15-13-7-12(10-3-4-10)16-17(13)11-5-6-21(19,20)8-11/h7,9-11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyMHJVDBHUGYOPTB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.71
Rot. Bonds4

About N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide

N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 71874061) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide
PubChem CID71874061
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21N3O3S/c1-9(2)14(18)15-13-7-12(10-3-4-10)16-17(13)11-5-6-21(19,20)8-11/h7,9-11H,3-6,8H2,1-2H3,(H,15,18)
InChIKeyMHJVDBHUGYOPTB-UHFFFAOYSA-N
XLogP1.71
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide (CID 71874061) is N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C2CC2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide?
The InChIKey is MHJVDBHUGYOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(2)14(18)15-13-7-12(10-3-4-10)16-17(13)11-5-6-21(19,20)8-11/h7,9-11H,3-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide?
N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 71874061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).