4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

C17H17F3N4 — CID 118864411

IUPAC4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C17H17F3N4/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-16(18)15(7-12)17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23)
InChIKeySKQPTLPPMSYEQN-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.21
Rot. Bonds5

About 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole

4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 118864411) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
PubChem CID118864411
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C17H17F3N4/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-16(18)15(7-12)17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23)
InChIKeySKQPTLPPMSYEQN-UHFFFAOYSA-N
XLogP4.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135632208
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
CID 136607458
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
CID 22037370

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole (CID 118864411) is 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCn1cc(-c2ccc(F)c(C(F)F)c2)cn1.
What is the InChIKey of 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is SKQPTLPPMSYEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-10-14(11(2)23-22-10)5-6-24-9-13(8-21-24)12-3-4-16(18)15(7-12)17(19)20/h3-4,7-9,17H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole?
4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 334.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(difluoromethyl)-4-fluorophenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 118864411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).