3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine

C12H19N3O — CID 66642895

IUPAC3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCC1(c2cc(N)n(CC3CCCO3)n2)CC1
InChIInChI=1S/C12H19N3O/c1-12(4-5-12)10-7-11(13)15(14-10)8-9-3-2-6-16-9/h7,9H,2-6,8,13H2,1H3
InChIKeyGDQGVWOWCAHKLQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds3

About 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine

3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine (PubChem CID 66642895) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine
PubChem CID66642895
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine
SMILESCC1(c2cc(N)n(CC3CCCO3)n2)CC1
InChIInChI=1S/C12H19N3O/c1-12(4-5-12)10-7-11(13)15(14-10)8-9-3-2-6-16-9/h7,9H,2-6,8,13H2,1H3
InChIKeyGDQGVWOWCAHKLQ-UHFFFAOYSA-N
XLogP1.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine (CID 66642895) is 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine is CC1(c2cc(N)n(CC3CCCO3)n2)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
The InChIKey is GDQGVWOWCAHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(4-5-12)10-7-11(13)15(14-10)8-9-3-2-6-16-9/h7,9H,2-6,8,13H2,1H3.
What are the key properties of 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine?
3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine has a molecular weight of 221.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 66642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).