3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine

C14H23N5 — CID 80544419

IUPAC3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCn1nc(C)c(-c2cnc(C(C)CCN)[nH]2)c1C
InChIInChI=1S/C14H23N5/c1-5-19-11(4)13(10(3)18-19)12-8-16-14(17-12)9(2)6-7-15/h8-9H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyVHFWKIWNNNQSMM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds5

About 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine

3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 80544419) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID80544419
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine
SMILESCCn1nc(C)c(-c2cnc(C(C)CCN)[nH]2)c1C
InChIInChI=1S/C14H23N5/c1-5-19-11(4)13(10(3)18-19)12-8-16-14(17-12)9(2)6-7-15/h8-9H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyVHFWKIWNNNQSMM-UHFFFAOYSA-N
XLogP2.36
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine (CID 80544419) is 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine is CCn1nc(C)c(-c2cnc(C(C)CCN)[nH]2)c1C.
What is the InChIKey of 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is VHFWKIWNNNQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-19-11(4)13(10(3)18-19)12-8-16-14(17-12)9(2)6-7-15/h8-9H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine?
3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 80544419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).