(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine

C10H17N3S — CID 105465424

IUPAC(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESCC(C)n1nc(CN)c2c1CCSC2
InChIInChI=1S/C10H17N3S/c1-7(2)13-10-3-4-14-6-8(10)9(5-11)12-13/h7H,3-6,11H2,1-2H3
InChIKeyHNKOPZHXRBBAJR-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.71
Rot. Bonds2

About (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine

(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine (PubChem CID 105465424) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
PubChem CID105465424
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESCC(C)n1nc(CN)c2c1CCSC2
InChIInChI=1S/C10H17N3S/c1-7(2)13-10-3-4-14-6-8(10)9(5-11)12-13/h7H,3-6,11H2,1-2H3
InChIKeyHNKOPZHXRBBAJR-UHFFFAOYSA-N
XLogP1.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105449261
1-propan-2-yl-3-thiophen-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
CID 121214713
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105461036
3-ethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586537
1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 83862378
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
1-(1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-yl)propan-2-amine
CID 83847816
1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105439556
(2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)methanamine
CID 112711083
[6-methyl-1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 105479848
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82590512
(2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711119

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The IUPAC name of (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine (CID 105465424) is (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine.
What is the SMILES notation for (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The canonical SMILES for (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine is CC(C)n1nc(CN)c2c1CCSC2.
What is the InChIKey of (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The InChIKey is HNKOPZHXRBBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)13-10-3-4-14-6-8(10)9(5-11)12-13/h7H,3-6,11H2,1-2H3.
What are the key properties of (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
(1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine is sourced from PubChem (CID 105465424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).