1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine

C9H12N4O — CID 131181946

IUPAC1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(CNc2ccn(C)n2)no1
InChIInChI=1S/C9H12N4O/c1-7-5-8(12-14-7)6-10-9-3-4-13(2)11-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyCQAYOYNNXTWNHI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.33
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine

1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 131181946) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine
PubChem CID131181946
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(CNc2ccn(C)n2)no1
InChIInChI=1S/C9H12N4O/c1-7-5-8(12-14-7)6-10-9-3-4-13(2)11-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyCQAYOYNNXTWNHI-UHFFFAOYSA-N
XLogP1.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine (CID 131181946) is 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine is Cc1cc(CNc2ccn(C)n2)no1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is CQAYOYNNXTWNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-5-8(12-14-7)6-10-9-3-4-13(2)11-9/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 192.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 131181946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).