[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine

C9H15N3O — CID 115092647

IUPAC[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(CC2CCCO2)n[nH]1
InChIInChI=1S/C9H15N3O/c10-6-8-4-7(11-12-8)5-9-2-1-3-13-9/h4,9H,1-3,5-6,10H2,(H,11,12)
InChIKeyAVHBGIUTYAGFFF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.59
Rot. Bonds3

About [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine

[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 115092647) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine
PubChem CID115092647
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine
SMILESNCc1cc(CC2CCCO2)n[nH]1
InChIInChI=1S/C9H15N3O/c10-6-8-4-7(11-12-8)5-9-2-1-3-13-9/h4,9H,1-3,5-6,10H2,(H,11,12)
InChIKeyAVHBGIUTYAGFFF-UHFFFAOYSA-N
XLogP0.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
CID 117105951
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
N-cyclopentyl-2-(5-methyl-1H-pyrazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97069159
6-cyclopropyl-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63354065
[(2R)-oxolan-2-yl]methanamine
CID 2734124
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-[(3,5-dichlorophenyl)methyl]oxolane
CID 173052103
6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 62191028
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 154793646
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
2-[[(2S)-oxolan-2-yl]methyl]furo[2,3-b]pyridin-4-amine
CID 68695556

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine (CID 115092647) is [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine is NCc1cc(CC2CCCO2)n[nH]1.
What is the InChIKey of [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is AVHBGIUTYAGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-8-4-7(11-12-8)5-9-2-1-3-13-9/h4,9H,1-3,5-6,10H2,(H,11,12).
What are the key properties of [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine?
[3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 115092647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).