1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole

C10H7F2N2- — CID 102405545

IUPAC1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole
SMILESFc1c[c-]c(Cn2cccn2)c(F)c1
InChIInChI=1S/C10H7F2N2/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13-14/h1,3-6H,7H2/q-1
InChIKeyWCNUPJBMRNWVFU-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.01
Rot. Bonds2

About 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole

1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole (PubChem CID 102405545) has the molecular formula C10H7F2N2- and a molecular weight of 193.18 g/mol. Its IUPAC name is 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole
PubChem CID102405545
Molecular FormulaC10H7F2N2-
Molecular Weight193.18 g/mol
Exact Mass193.06
IUPAC Name1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole
SMILESFc1c[c-]c(Cn2cccn2)c(F)c1
InChIInChI=1S/C10H7F2N2/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13-14/h1,3-6H,7H2/q-1
InChIKeyWCNUPJBMRNWVFU-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-(2,2-difluoroethyl)-1H-pyrazole
CID 25247479
1-(Fluoromethyl)pyrazole
CID 67077490
Tetrafluoroethyl 1h pyrazol
CID 67379177
1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
CID 134963629
1-(4,4-Difluoro-3-methylbut-3-enyl)pyrazole
CID 155933446
1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrazole
CID 15321651
1-(2-fluoroethyl)-1H-pyrazole
CID 18426098
Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole?
The IUPAC name of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole (CID 102405545) is 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole?
The canonical SMILES for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole is Fc1c[c-]c(Cn2cccn2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole?
The InChIKey is WCNUPJBMRNWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N2/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13-14/h1,3-6H,7H2/q-1.
What are the key properties of 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole?
1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole has a molecular weight of 193.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole is sourced from PubChem (CID 102405545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).