4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole

C14H20N4 — CID 68570203

IUPAC4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole
SMILESC=CCc1nn(CCCCC)cc1-c1ncc[nH]1
InChIInChI=1S/C14H20N4/c1-3-5-6-10-18-11-12(13(17-18)7-4-2)14-15-8-9-16-14/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,15,16)
InChIKeyKQDKWYZGYLSQJG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.19
Rot. Bonds7

About 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole

4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole (PubChem CID 68570203) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole
PubChem CID68570203
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole
SMILESC=CCc1nn(CCCCC)cc1-c1ncc[nH]1
InChIInChI=1S/C14H20N4/c1-3-5-6-10-18-11-12(13(17-18)7-4-2)14-15-8-9-16-14/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,15,16)
InChIKeyKQDKWYZGYLSQJG-UHFFFAOYSA-N
XLogP3.19
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole (CID 68570203) is 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole is C=CCc1nn(CCCCC)cc1-c1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole?
The InChIKey is KQDKWYZGYLSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-5-6-10-18-11-12(13(17-18)7-4-2)14-15-8-9-16-14/h4,8-9,11H,2-3,5-7,10H2,1H3,(H,15,16).
What are the key properties of 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole?
4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole has a molecular weight of 244.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-pentyl-3-prop-2-enylpyrazole is sourced from PubChem (CID 68570203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).