1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

C10H17N3O — CID 63961188

IUPAC1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C10H17N3O/c1-13-10(4-5-12-13)9(11)7-8-3-2-6-14-8/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyNZPNPGGTXIFXFU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63961188) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63961188
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCn1nccc1C(N)CC1CCCO1
InChIInChI=1S/C10H17N3O/c1-13-10(4-5-12-13)9(11)7-8-3-2-6-14-8/h4-5,8-9H,2-3,6-7,11H2,1H3
InChIKeyNZPNPGGTXIFXFU-UHFFFAOYSA-N
XLogP0.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (CID 63961188) is 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is Cn1nccc1C(N)CC1CCCO1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is NZPNPGGTXIFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-10(4-5-12-13)9(11)7-8-3-2-6-14-8/h4-5,8-9H,2-3,6-7,11H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63961188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).