5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine

C9H13N5 — CID 130598786

IUPAC5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1cc(N)n(Cc2cn(C)cn2)n1
InChIInChI=1S/C9H13N5/c1-7-3-9(10)14(12-7)5-8-4-13(2)6-11-8/h3-4,6H,5,10H2,1-2H3
InChIKeyQZIFUIIVJRBHTK-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.56
Rot. Bonds2

About 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine

5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 130598786) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine
PubChem CID130598786
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1cc(N)n(Cc2cn(C)cn2)n1
InChIInChI=1S/C9H13N5/c1-7-3-9(10)14(12-7)5-8-4-13(2)6-11-8/h3-4,6H,5,10H2,1-2H3
InChIKeyQZIFUIIVJRBHTK-UHFFFAOYSA-N
XLogP0.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine (CID 130598786) is 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine is Cc1cc(N)n(Cc2cn(C)cn2)n1.
What is the InChIKey of 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is QZIFUIIVJRBHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7-3-9(10)14(12-7)5-8-4-13(2)6-11-8/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine?
5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 191.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methylimidazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130598786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).