1-methyl-3-(oxolan-2-yl)pyrazol-5-amine

C8H13N3O — CID 86767720

IUPAC1-methyl-3-(oxolan-2-yl)pyrazol-5-amine
SMILESCn1nc(C2CCCO2)cc1N
InChIInChI=1S/C8H13N3O/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h5,7H,2-4,9H2,1H3
InChIKeyKCXASWIJXRCXDP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine

1-methyl-3-(oxolan-2-yl)pyrazol-5-amine (PubChem CID 86767720) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(oxolan-2-yl)pyrazol-5-amine
PubChem CID86767720
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-methyl-3-(oxolan-2-yl)pyrazol-5-amine
SMILESCn1nc(C2CCCO2)cc1N
InChIInChI=1S/C8H13N3O/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h5,7H,2-4,9H2,1H3
InChIKeyKCXASWIJXRCXDP-UHFFFAOYSA-N
XLogP0.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine (CID 86767720) is 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine is Cn1nc(C2CCCO2)cc1N.
What is the InChIKey of 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine?
The InChIKey is KCXASWIJXRCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h5,7H,2-4,9H2,1H3.
What are the key properties of 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine?
1-methyl-3-(oxolan-2-yl)pyrazol-5-amine has a molecular weight of 167.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxolan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 86767720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).