1-(oxolan-2-ylmethyl)pyrazol-4-amine

C8H13N3O — CID 43185727

IUPAC1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11(5-7)6-8-2-1-3-12-8/h4-5,8H,1-3,6,9H2
InChIKeyOXKCHLGFMPFNMY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)pyrazol-4-amine

1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43185727) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43185727
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11(5-7)6-8-2-1-3-12-8/h4-5,8H,1-3,6,9H2
InChIKeyOXKCHLGFMPFNMY-UHFFFAOYSA-N
XLogP0.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43185727) is 1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)pyrazol-4-amine is Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is OXKCHLGFMPFNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-4-10-11(5-7)6-8-2-1-3-12-8/h4-5,8H,1-3,6,9H2.
What are the key properties of 1-(oxolan-2-ylmethyl)pyrazol-4-amine?
1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43185727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).