1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C18H24N4O3S — CID 166216266

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1nn(C2CCS(=O)(=O)C2)cc1C(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H24N4O3S/c1-13(2)17-16(11-22(20-17)15-7-9-26(24,25)12-15)18(23)21(3)10-14-6-4-5-8-19-14/h4-6,8,11,13,15H,7,9-10,12H2,1-3H3
InChIKeyLWRLLFBUVQPDKG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 166216266) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID166216266
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1nn(C2CCS(=O)(=O)C2)cc1C(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H24N4O3S/c1-13(2)17-16(11-22(20-17)15-7-9-26(24,25)12-15)18(23)21(3)10-14-6-4-5-8-19-14/h4-6,8,11,13,15H,7,9-10,12H2,1-3H3
InChIKeyLWRLLFBUVQPDKG-UHFFFAOYSA-N
XLogP2.03
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-4-carboxamide
CID 95781996
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-propan-2-ylpyrazol-4-yl]methanone
CID 125147062
4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43641731
1-(1,1-dioxothiolan-3-yl)-6-oxo-N-(pyridin-2-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 53369622
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-2-fluoro-N-methylbenzamide
CID 7671617
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-pyridin-2-ylpropanamide
CID 110389197
1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 66460317
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155855355
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-(pyridin-2-ylmethyl)propanediamide
CID 108947458
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 166216266) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is CC(C)c1nn(C2CCS(=O)(=O)C2)cc1C(=O)N(C)Cc1ccccn1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is LWRLLFBUVQPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13(2)17-16(11-22(20-17)15-7-9-26(24,25)12-15)18(23)21(3)10-14-6-4-5-8-19-14/h4-6,8,11,13,15H,7,9-10,12H2,1-3H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166216266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).