(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine

C10H17N3O — CID 122155808

IUPAC(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2N)cn1
InChIInChI=1S/C10H17N3O/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10/h5-7,9-10H,3-4,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyUEQYVPMKGQPTFU-ZJUUUORDSA-N
MW195.27 g/mol
LogP1.25
Rot. Bonds2

About (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine

(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine (PubChem CID 122155808) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine
PubChem CID122155808
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2N)cn1
InChIInChI=1S/C10H17N3O/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10/h5-7,9-10H,3-4,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyUEQYVPMKGQPTFU-ZJUUUORDSA-N
XLogP1.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
rac-(2R,3S)-2-(1-(cyclopropylmethyl)-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 122164221
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 126791059
[2-(1-methyl-1H-pyrazol-4-yl)oxolan-2-yl]methanamine
CID 132343993
2,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 71929305
Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-4-yl)oxan-3-yl]methanamine
CID 124507216
rac-(2R,3S)-2-(1,5-dimethyl-1H-pyrazol-4-yl)oxolan-3-amine
CID 124512037
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine (CID 122155808) is (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine is CC(C)n1cc([C@@H]2OCC[C@H]2N)cn1.
What is the InChIKey of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is UEQYVPMKGQPTFU-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10/h5-7,9-10H,3-4,11H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine?
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 195.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 122155808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).