2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole

C16H16ClFN4 — CID 175419536

IUPAC2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
SMILESCCCc1cnc(-c2cn[nH]c2Cc2cc(F)cc(Cl)c2)[nH]1
InChIInChI=1S/C16H16ClFN4/c1-2-3-13-8-19-16(21-13)14-9-20-22-15(14)6-10-4-11(17)7-12(18)5-10/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyFVGZGQGBGCEWDF-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.14
Rot. Bonds5

About 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole

2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole (PubChem CID 175419536) has the molecular formula C16H16ClFN4 and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
PubChem CID175419536
Molecular FormulaC16H16ClFN4
Molecular Weight318.78 g/mol
Exact Mass318.10
IUPAC Name2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
SMILESCCCc1cnc(-c2cn[nH]c2Cc2cc(F)cc(Cl)c2)[nH]1
InChIInChI=1S/C16H16ClFN4/c1-2-3-13-8-19-16(21-13)14-9-20-22-15(14)6-10-4-11(17)7-12(18)5-10/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyFVGZGQGBGCEWDF-UHFFFAOYSA-N
XLogP4.14
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(4-methyl-1H-imidazol-2-yl)ethanamine
CID 16192409
3-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-pyrazole
CID 13669912
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1H-pyrazole
CID 25025862
US11352340, Example 1
CID 129315720
N-((5-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridin-3-yl)methyl)ethanamine
CID 135823061
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(2-isopropyl-1H-imidazol-5-yl)-4-methyl-1H-pyrazole
CID 136180709
4-Chloro-6-[4-[(2-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164616334
4-Chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164618782
3-(4-chlorophenyl)-4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-1H-pyrazole
CID 11840874
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-(1H-pyrazol-5-yl)pyrazine
CID 165414963

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The IUPAC name of 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole (CID 175419536) is 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole.
What is the SMILES notation for 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The canonical SMILES for 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole is CCCc1cnc(-c2cn[nH]c2Cc2cc(F)cc(Cl)c2)[nH]1.
What is the InChIKey of 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The InChIKey is FVGZGQGBGCEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4/c1-2-3-13-8-19-16(21-13)14-9-20-22-15(14)6-10-4-11(17)7-12(18)5-10/h4-5,7-9H,2-3,6H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole has a molecular weight of 318.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chloro-5-fluorophenyl)methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole is sourced from PubChem (CID 175419536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).