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

C14H23N5 — CID 107465373

IUPAC1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCc1nn(C)cc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C14H23N5/c1-5-12-14(8-18(4)17-12)19-9-16-7-13(19)11(15)6-10(2)3/h7-11H,5-6,15H2,1-4H3
InChIKeyGKBIHFVOHUXWAL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds5

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

1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107465373) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107465373
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCc1nn(C)cc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C14H23N5/c1-5-12-14(8-18(4)17-12)19-9-16-7-13(19)11(15)6-10(2)3/h7-11H,5-6,15H2,1-4H3
InChIKeyGKBIHFVOHUXWAL-UHFFFAOYSA-N
XLogP2.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
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]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine (CID 107465373) is 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine is CCc1nn(C)cc1-n1cncc1C(N)CC(C)C.
What is the InChIKey of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is GKBIHFVOHUXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-12-14(8-18(4)17-12)19-9-16-7-13(19)11(15)6-10(2)3/h7-11H,5-6,15H2,1-4H3.
What are the key properties of 1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 5 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]-3-methylbutan-1-amine is sourced from PubChem (CID 107465373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).