5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine

C14H21N5 — CID 103570393

IUPAC5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cnn(CC)c2)c1N
InChIInChI=1S/C14H21N5/c1-4-7-12-17-13(14(15)19(12)8-5-2)11-9-16-18(6-3)10-11/h5,9-10H,2,4,6-8,15H2,1,3H3
InChIKeyGCTGLHVEFXHAPC-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.49
Rot. Bonds6

About 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 103570393) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID103570393
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cnn(CC)c2)c1N
InChIInChI=1S/C14H21N5/c1-4-7-12-17-13(14(15)19(12)8-5-2)11-9-16-18(6-3)10-11/h5,9-10H,2,4,6-8,15H2,1,3H3
InChIKeyGCTGLHVEFXHAPC-UHFFFAOYSA-N
XLogP2.49
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62220498
5-(3,4-dichlorophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 63468915
5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62218720
2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
CID 103572897
5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 63645020
2-ethyl-5-(1-ethylpyrazol-4-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 103570383
5-(2,2-dimethylpropyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62964799
5-(1-ethylpyrazol-4-yl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 103570396
5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62219770
3-methyl-5-(1-methylpyrazol-4-yl)-2-propylimidazol-4-amine
CID 62219046
5-(4-chlorophenyl)-2-ethyl-3-prop-2-enylimidazol-4-amine
CID 62219920
5-(1-methylpyrazol-4-yl)-2-propan-2-yl-3-prop-2-enylimidazol-4-amine
CID 62218217

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 103570393) is 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(-c2cnn(CC)c2)c1N.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is GCTGLHVEFXHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-7-12-17-13(14(15)19(12)8-5-2)11-9-16-18(6-3)10-11/h5,9-10H,2,4,6-8,15H2,1,3H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 103570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).