(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone

C14H19N3O3S — CID 126443103

IUPAC(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C14H19N3O3S/c18-14(10-4-6-21(19,20)8-10)17-5-3-12-11(7-17)13(16-15-12)9-1-2-9/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyJVKZWIMJWLLBQW-SNVBAGLBSA-N
MW309.39 g/mol
LogP0.61
Rot. Bonds2

About (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone

(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone (PubChem CID 126443103) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone
PubChem CID126443103
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2C1
InChIInChI=1S/C14H19N3O3S/c18-14(10-4-6-21(19,20)8-10)17-5-3-12-11(7-17)13(16-15-12)9-1-2-9/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyJVKZWIMJWLLBQW-SNVBAGLBSA-N
XLogP0.61
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
CID 46984747
cyclopropyl-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571091
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 29029650
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
4-(1,1-dioxothiolane-3-carbonyl)-1,4-diazepan-2-one
CID 62896081
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97007021
cycloheptyl-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 45210720
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(1,4-oxazepan-6-yl)methanone
CID 154566749
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
CID 154567827
(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 110221397

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone (CID 126443103) is (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone is O=C([C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]nc(C3CC3)c2C1.
What is the InChIKey of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The InChIKey is JVKZWIMJWLLBQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(10-4-6-21(19,20)8-10)17-5-3-12-11(7-17)13(16-15-12)9-1-2-9/h9-10H,1-8H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone?
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone has a molecular weight of 309.39 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(3S)-1,1-dioxothiolan-3-yl]methanone is sourced from PubChem (CID 126443103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).