3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine

C9H13N5 — CID 103079007

IUPAC3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine
SMILESCCc1nccn1-c1nn(C)cc1N
InChIInChI=1S/C9H13N5/c1-3-8-11-4-5-14(8)9-7(10)6-13(2)12-9/h4-6H,3,10H2,1-2H3
InChIKeyMHLIFIJHEAYLCU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.75
Rot. Bonds2

About 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine

3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103079007) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine
PubChem CID103079007
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine
SMILESCCc1nccn1-c1nn(C)cc1N
InChIInChI=1S/C9H13N5/c1-3-8-11-4-5-14(8)9-7(10)6-13(2)12-9/h4-6H,3,10H2,1-2H3
InChIKeyMHLIFIJHEAYLCU-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
CID 115474382
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
6-(2-ethylimidazol-1-yl)-5-methylpyridin-3-amine
CID 62476570
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
[5-(2-ethylimidazol-1-yl)furan-2-yl]methanamine
CID 82504832
2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634700
[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 61404931
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80857532
[8-(2-ethylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80901889
4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80857709
4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
CID 63730231
[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
CID 61404987

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine (CID 103079007) is 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine is CCc1nccn1-c1nn(C)cc1N.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is MHLIFIJHEAYLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-8-11-4-5-14(8)9-7(10)6-13(2)12-9/h4-6H,3,10H2,1-2H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine?
3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 191.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).