(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine

C9H15N3O — CID 65330620

IUPAC(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
SMILESCn1nccc1C(N)C1CCOC1
InChIInChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9(10)7-3-5-13-6-7/h2,4,7,9H,3,5-6,10H2,1H3
InChIKeyLEBXKZPXXXKOAJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.46
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine

(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine (PubChem CID 65330620) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
PubChem CID65330620
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
SMILESCn1nccc1C(N)C1CCOC1
InChIInChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9(10)7-3-5-13-6-7/h2,4,7,9H,3,5-6,10H2,1H3
InChIKeyLEBXKZPXXXKOAJ-UHFFFAOYSA-N
XLogP0.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105229276
N-methyl-1-(2-methylpyrazol-3-yl)-1-(oxolan-3-yl)methanamine
CID 65330463
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
CID 65392017
(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
CID 63960737
(2,3-dimethylimidazol-4-yl)-(oxolan-3-yl)methanamine
CID 130518971
(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135
6-bicyclo[3.1.0]hexanyl-(2-methylpyrazol-3-yl)methanamine
CID 115858458
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
1,4-dithian-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 79972695
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine (CID 65330620) is (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine is Cn1nccc1C(N)C1CCOC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine?
The InChIKey is LEBXKZPXXXKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9(10)7-3-5-13-6-7/h2,4,7,9H,3,5-6,10H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine?
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 65330620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).