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

C8H11N5 — CID 95930089

IUPAC1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine
SMILESCc1nccn1Cn1cc(N)cn1
InChIInChI=1S/C8H11N5/c1-7-10-2-3-12(7)6-13-5-8(9)4-11-13/h2-5H,6,9H2,1H3
InChIKeyORBPNOAHGTZXTG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.48
Rot. Bonds2

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

1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine (PubChem CID 95930089) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine
PubChem CID95930089
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine
SMILESCc1nccn1Cn1cc(N)cn1
InChIInChI=1S/C8H11N5/c1-7-10-2-3-12(7)6-13-5-8(9)4-11-13/h2-5H,6,9H2,1H3
InChIKeyORBPNOAHGTZXTG-UHFFFAOYSA-N
XLogP0.48
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine (CID 95930089) is 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine is Cc1nccn1Cn1cc(N)cn1.
What is the InChIKey of 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine?
The InChIKey is ORBPNOAHGTZXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-7-10-2-3-12(7)6-13-5-8(9)4-11-13/h2-5H,6,9H2,1H3.
What are the key properties of 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine?
1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine has a molecular weight of 177.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 95930089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).