(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine

C8H13N3O — CID 82413745

IUPAC(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c2c1COCC2
InChIInChI=1S/C8H13N3O/c1-5(9)8-6-4-12-3-2-7(6)10-11-8/h5H,2-4,9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyVFEMYWBJMXEORP-YFKPBYRVSA-N
MW167.21 g/mol
LogP0.50
Rot. Bonds1

About (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine

(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine (PubChem CID 82413745) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
PubChem CID82413745
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c2c1COCC2
InChIInChI=1S/C8H13N3O/c1-5(9)8-6-4-12-3-2-7(6)10-11-8/h5H,2-4,9H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyVFEMYWBJMXEORP-YFKPBYRVSA-N
XLogP0.50
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
4-[(1S)-1-aminoethyl]-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 83859004
(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine
CID 82408779
4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one
CID 130232048
3-cyclohexyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498714
3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498684
3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498873
N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
CID 83862575
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
3-pyrrolidin-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83847308
2-(2-oxo-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-yl)propanoic acid
CID 83859012
3-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole
CID 70660609

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine (CID 82413745) is (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine is C[C@H](N)c1n[nH]c2c1COCC2.
What is the InChIKey of (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
The InChIKey is VFEMYWBJMXEORP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(9)8-6-4-12-3-2-7(6)10-11-8/h5H,2-4,9H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine?
(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine is sourced from PubChem (CID 82413745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).