1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

C13H21N5 — CID 63817668

IUPAC1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nccn1-c1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C13H21N5/c1-5-12-15-6-7-18(12)13-11(8-9(2)14)10(3)16-17(13)4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyGQDTVULJMWUPSC-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.37
Rot. Bonds4

About 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63817668) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63817668
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nccn1-c1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C13H21N5/c1-5-12-15-6-7-18(12)13-11(8-9(2)14)10(3)16-17(13)4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyGQDTVULJMWUPSC-UHFFFAOYSA-N
XLogP1.37
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 61404931
N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61405309
1-[4-(2-ethylimidazol-1-yl)-2-methylphenyl]propan-2-amine
CID 63815027
1-[3-(2-ethylimidazol-1-yl)phenyl]propan-2-amine
CID 63941358
1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 55235642
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-[1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 63815356
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63793784
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 115562579
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282174

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63817668) is 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is CCc1nccn1-c1c(CC(C)N)c(C)nn1C.
What is the InChIKey of 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is GQDTVULJMWUPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-12-15-6-7-18(12)13-11(8-9(2)14)10(3)16-17(13)4/h6-7,9H,5,8,14H2,1-4H3.
What are the key properties of 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63817668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).