2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C10H17N3S — CID 105465430

IUPAC2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CCSC2
InChIInChI=1S/C10H17N3S/c1-10(2,3)13-9(11)7-4-5-14-6-8(7)12-13/h4-6,11H2,1-3H3
InChIKeyNHFNZYUGODRMGC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.01
Rot. Bonds

About 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 105465430) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID105465430
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CCSC2
InChIInChI=1S/C10H17N3S/c1-10(2,3)13-9(11)7-4-5-14-6-8(7)12-13/h4-6,11H2,1-3H3
InChIKeyNHFNZYUGODRMGC-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
2-tert-butyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105449274
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137
2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83871483
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
2-tert-butyl-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
CID 79866632
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030671
4-tert-butyl-N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 5175415
3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
CID 58961072
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)pentanamide
CID 4225476
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 105465430) is 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is CC(C)(C)n1nc2c(c1N)CCSC2.
What is the InChIKey of 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is NHFNZYUGODRMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)13-9(11)7-4-5-14-6-8(7)12-13/h4-6,11H2,1-3H3.
What are the key properties of 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105465430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).