N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

C19H23N5O4S — CID 25342203

IUPACN-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H23N5O4S/c1-12-15(13(2)24(22-12)14-6-8-29(26,27)11-14)10-23(3)19(25)17-9-16(20-21-17)18-5-4-7-28-18/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyLTIILFFSANJDJM-AWEZNQCLSA-N
MW417.49 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 25342203) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID25342203
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H23N5O4S/c1-12-15(13(2)24(22-12)14-6-8-29(26,27)11-14)10-23(3)19(25)17-9-16(20-21-17)18-5-4-7-28-18/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyLTIILFFSANJDJM-AWEZNQCLSA-N
XLogP2.11
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N,6-dimethylpyridine-2-carboxamide
CID 43074837
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-2-fluoro-N-methylbenzamide
CID 7671617
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 17411404
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-3,3-diphenylpropanamide
CID 17488246
1-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 24528970
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 17429870
N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 31548113
4-(difluoromethoxy)-N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 31544872
N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-3-indol-1-yl-N-methylpropanamide
CID 41024327
2-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 40810283
2-(4-chlorophenyl)-N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylacetamide
CID 9194549
N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 41013494

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (CID 25342203) is N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LTIILFFSANJDJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-12-15(13(2)24(22-12)14-6-8-29(26,27)11-14)10-23(3)19(25)17-9-16(20-21-17)18-5-4-7-28-18/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).