1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

C16H24N6O3S — CID 99807130

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1n[nH]c(CC(C)C)n1
InChIInChI=1S/C16H24N6O3S/c1-9(2)7-13-17-16(20-19-13)18-15(23)14-10(3)21-22(11(14)4)12-5-6-26(24,25)8-12/h9,12H,5-8H2,1-4H3,(H2,17,18,19,20,23)/t12-/m1/s1
InChIKeyMNYADQOHSOKPNS-GFCCVEGCSA-N
MW380.47 g/mol
LogP1.43
Rot. Bonds5

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (PubChem CID 99807130) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
PubChem CID99807130
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1n[nH]c(CC(C)C)n1
InChIInChI=1S/C16H24N6O3S/c1-9(2)7-13-17-16(20-19-13)18-15(23)14-10(3)21-22(11(14)4)12-5-6-26(24,25)8-12/h9,12H,5-8H2,1-4H3,(H2,17,18,19,20,23)/t12-/m1/s1
InChIKeyMNYADQOHSOKPNS-GFCCVEGCSA-N
XLogP1.43
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[(2S)-6-methylheptan-2-yl]pyrazole-4-carboxamide
CID 95859275
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CID 95860171
N-cyclooctyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 95860170
N-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 134707428
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 91639495
N-(1-benzylpiperidin-4-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
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CID 139000620
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]hydroxylamine
CID 82685721
N-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-1-methyl-6-oxopyridine-3-carboxamide
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N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]formamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (CID 99807130) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1n[nH]c(CC(C)C)n1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is MNYADQOHSOKPNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-9(2)7-13-17-16(20-19-13)18-15(23)14-10(3)21-22(11(14)4)12-5-6-26(24,25)8-12/h9,12H,5-8H2,1-4H3,(H2,17,18,19,20,23)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 99807130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).