1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine

C9H13N5O — CID 66509591

IUPAC1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine
SMILESCn1cc(N)c(OCc2ccnn2C)n1
InChIInChI=1S/C9H13N5O/c1-13-5-8(10)9(12-13)15-6-7-3-4-11-14(7)2/h3-5H,6,10H2,1-2H3
InChIKeyIQSZYDDMCHDVKG-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.31
Rot. Bonds3

About 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine

1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine (PubChem CID 66509591) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine
PubChem CID66509591
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine
SMILESCn1cc(N)c(OCc2ccnn2C)n1
InChIInChI=1S/C9H13N5O/c1-13-5-8(10)9(12-13)15-6-7-3-4-11-14(7)2/h3-5H,6,10H2,1-2H3
InChIKeyIQSZYDDMCHDVKG-UHFFFAOYSA-N
XLogP0.31
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine?
The IUPAC name of 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine (CID 66509591) is 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine is Cn1cc(N)c(OCc2ccnn2C)n1.
What is the InChIKey of 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine?
The InChIKey is IQSZYDDMCHDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-13-5-8(10)9(12-13)15-6-7-3-4-11-14(7)2/h3-5H,6,10H2,1-2H3.
What are the key properties of 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine?
1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylpyrazol-3-yl)methoxy]pyrazol-4-amine is sourced from PubChem (CID 66509591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).