[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine

C11H19N3O — CID 62550168

IUPAC[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(CC2CCCO2)c(C)c1CN
InChIInChI=1S/C11H19N3O/c1-8-11(6-12)9(2)14(13-8)7-10-4-3-5-15-10/h10H,3-7,12H2,1-2H3
InChIKeyMJGQGCPDBVCAMC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.14
Rot. Bonds3

About [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine

[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine (PubChem CID 62550168) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
PubChem CID62550168
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(CC2CCCO2)c(C)c1CN
InChIInChI=1S/C11H19N3O/c1-8-11(6-12)9(2)14(13-8)7-10-4-3-5-15-10/h10H,3-7,12H2,1-2H3
InChIKeyMJGQGCPDBVCAMC-UHFFFAOYSA-N
XLogP1.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine (CID 62550168) is [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine is Cc1nn(CC2CCCO2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine?
The InChIKey is MJGQGCPDBVCAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-11(6-12)9(2)14(13-8)7-10-4-3-5-15-10/h10H,3-7,12H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 62550168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).