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

C10H14N4O — CID 43647567

IUPAC[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ccno2)c(C)c1CN
InChIInChI=1S/C10H14N4O/c1-7-10(5-11)8(2)14(13-7)6-9-3-4-12-15-9/h3-4H,5-6,11H2,1-2H3
InChIKeyHPAFQIZMEHHFJN-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.99
Rot. Bonds3

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

[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine (PubChem CID 43647567) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine
PubChem CID43647567
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ccno2)c(C)c1CN
InChIInChI=1S/C10H14N4O/c1-7-10(5-11)8(2)14(13-7)6-9-3-4-12-15-9/h3-4H,5-6,11H2,1-2H3
InChIKeyHPAFQIZMEHHFJN-UHFFFAOYSA-N
XLogP0.99
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine (CID 43647567) is [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine is Cc1nn(Cc2ccno2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine?
The InChIKey is HPAFQIZMEHHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-10(5-11)8(2)14(13-7)6-9-3-4-12-15-9/h3-4H,5-6,11H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(1,2-oxazol-5-ylmethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 43647567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).