1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine

C9H13N5 — CID 114527828

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
SMILESCn1ccnc1CCn1ccc(N)n1
InChIInChI=1S/C9H13N5/c1-13-7-4-11-9(13)3-6-14-5-2-8(10)12-14/h2,4-5,7H,3,6H2,1H3,(H2,10,12)
InChIKeyDGABDGAVGIUBOF-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.44
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine

1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine (PubChem CID 114527828) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
PubChem CID114527828
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
SMILESCn1ccnc1CCn1ccc(N)n1
InChIInChI=1S/C9H13N5/c1-13-7-4-11-9(13)3-6-14-5-2-8(10)12-14/h2,4-5,7H,3,6H2,1H3,(H2,10,12)
InChIKeyDGABDGAVGIUBOF-UHFFFAOYSA-N
XLogP0.44
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
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5-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pyridin-2-amine
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1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine (CID 114527828) is 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine is Cn1ccnc1CCn1ccc(N)n1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine?
The InChIKey is DGABDGAVGIUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-13-7-4-11-9(13)3-6-14-5-2-8(10)12-14/h2,4-5,7H,3,6H2,1H3,(H2,10,12).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine?
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine has a molecular weight of 191.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 114527828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).