1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole

C16H18N4 — CID 174505050

IUPAC1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole
SMILESCC(C)Cn1cnc(-c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C16H18N4/c1-12(2)9-20-10-15(17-11-20)14-8-18-19-16(14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyDWRZZERNFFVFDH-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.60
Rot. Bonds4

About 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole

1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole (PubChem CID 174505050) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole
PubChem CID174505050
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole
SMILESCC(C)Cn1cnc(-c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C16H18N4/c1-12(2)9-20-10-15(17-11-20)14-8-18-19-16(14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyDWRZZERNFFVFDH-UHFFFAOYSA-N
XLogP3.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-diphenyl-1H-pyrazole;ethane;molecular hydrogen
CID 144664765
2-(2,6-difluorophenyl)-1-methyl-5-[1-(2-methylpropyl)imidazol-4-yl]-4-phenylimidazole
CID 172764921
4-(5-phenyl-1H-pyrazol-4-yl)aniline
CID 39222207
3,5-dimethyl-4-[[4-(5-phenyl-1H-pyrazol-4-yl)triazol-1-yl]methyl]-1,2-oxazole
CID 70748599
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113
2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 54219952
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
CID 44604866
ethyl 2-[4-hydroxy-3-(5-phenyl-1H-pyrazol-4-yl)phenoxy]acetate
CID 71739294
1-(2-methylpropyl)imidazol-4-amine;hydrochloride
CID 86276624
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole?
The IUPAC name of 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole (CID 174505050) is 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole.
What is the SMILES notation for 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole?
The canonical SMILES for 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole is CC(C)Cn1cnc(-c2cn[nH]c2-c2ccccc2)c1.
What is the InChIKey of 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole?
The InChIKey is DWRZZERNFFVFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(2)9-20-10-15(17-11-20)14-8-18-19-16(14)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole?
1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole has a molecular weight of 266.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(5-phenyl-1H-pyrazol-4-yl)imidazole is sourced from PubChem (CID 174505050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).