1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine

C13H21N5 — CID 107465376

IUPAC1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCc1nn(C)cc1-n1cncc1C(N)C(C)C
InChIInChI=1S/C13H21N5/c1-5-10-12(7-17(4)16-10)18-8-15-6-11(18)13(14)9(2)3/h6-9,13H,5,14H2,1-4H3
InChIKeyRKJXNGSCQBRHCV-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.82
Rot. Bonds4

About 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine

1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 107465376) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID107465376
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCc1nn(C)cc1-n1cncc1C(N)C(C)C
InChIInChI=1S/C13H21N5/c1-5-10-12(7-17(4)16-10)18-8-15-6-11(18)13(14)9(2)3/h6-9,13H,5,14H2,1-4H3
InChIKeyRKJXNGSCQBRHCV-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine (CID 107465376) is 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine is CCc1nn(C)cc1-n1cncc1C(N)C(C)C.
What is the InChIKey of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is RKJXNGSCQBRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-10-12(7-17(4)16-10)18-8-15-6-11(18)13(14)9(2)3/h6-9,13H,5,14H2,1-4H3.
What are the key properties of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 107465376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).