(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H19N5O3S — CID 136872646

IUPAC(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CN[C@H]1CCS(=O)(=O)C1)C2
InChIInChI=1S/C12H19N5O3S/c13-11(18)10-5-16-17-6-8(4-15-12(10)17)3-14-9-1-2-21(19,20)7-9/h5,8-9,14-15H,1-4,6-7H2,(H2,13,18)/t8-,9+/m1/s1
InChIKeyAFUHCGCHSPMSPL-BDAKNGLRSA-N
MW313.38 g/mol
LogP-1.20
Rot. Bonds4

About (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136872646) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136872646
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CN[C@H]1CCS(=O)(=O)C1)C2
InChIInChI=1S/C12H19N5O3S/c13-11(18)10-5-16-17-6-8(4-15-12(10)17)3-14-9-1-2-21(19,20)7-9/h5,8-9,14-15H,1-4,6-7H2,(H2,13,18)/t8-,9+/m1/s1
InChIKeyAFUHCGCHSPMSPL-BDAKNGLRSA-N
XLogP-1.20
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(6S)-6-[[[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136817521
(6S)-6-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136811502
(6R)-6-[[[1-(4-fluorophenyl)cyclopropyl]methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136769197
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 83240990
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 105491866
4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136839544
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 60727214
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103231380
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethylpyrazole-5-carboxamide
CID 65357083

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136872646) is (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c1NC[C@@H](CN[C@H]1CCS(=O)(=O)C1)C2.
What is the InChIKey of (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AFUHCGCHSPMSPL-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H19N5O3S/c13-11(18)10-5-16-17-6-8(4-15-12(10)17)3-14-9-1-2-21(19,20)7-9/h5,8-9,14-15H,1-4,6-7H2,(H2,13,18)/t8-,9+/m1/s1.
What are the key properties of (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136872646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).