(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine

C11H17N3O — CID 122164222

IUPAC(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1
InChIInChI=1S/C11H17N3O/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8/h5,7-8,10-11H,1-4,6,12H2/t10-,11+/m1/s1
InChIKeyDGHIZVKGQDKHJR-MNOVXSKESA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds3

About (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine

(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine (PubChem CID 122164222) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine
PubChem CID122164222
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1
InChIInChI=1S/C11H17N3O/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8/h5,7-8,10-11H,1-4,6,12H2/t10-,11+/m1/s1
InChIKeyDGHIZVKGQDKHJR-MNOVXSKESA-N
XLogP1.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.08
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
[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
2-(1-Cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
CID 166122266
4-(1-Methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine
CID 103029606
1-(2-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029716
1-[(2-Methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029724

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine (CID 122164222) is (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine is N[C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1.
What is the InChIKey of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine?
The InChIKey is DGHIZVKGQDKHJR-MNOVXSKESA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-3-4-15-11(10)9-5-13-14(7-9)6-8-1-2-8/h5,7-8,10-11H,1-4,6,12H2/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine?
(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-amine is sourced from PubChem (CID 122164222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).