4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole

C10H7ClF2N2 — CID 114990648

IUPAC4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole
SMILESFc1ccc(C(Cl)c2cn[nH]c2)cc1F
InChIInChI=1S/C10H7ClF2N2/c11-10(7-4-14-15-5-7)6-1-2-8(12)9(13)3-6/h1-5,10H,(H,14,15)
InChIKeyINBBAAZXOPKMHZ-UHFFFAOYSA-N
MW228.63 g/mol
LogP3.02
Rot. Bonds2

About 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole

4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole (PubChem CID 114990648) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole
PubChem CID114990648
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole
SMILESFc1ccc(C(Cl)c2cn[nH]c2)cc1F
InChIInChI=1S/C10H7ClF2N2/c11-10(7-4-14-15-5-7)6-1-2-8(12)9(13)3-6/h1-5,10H,(H,14,15)
InChIKeyINBBAAZXOPKMHZ-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[chloro-(3,4-dimethylphenyl)methyl]-1H-pyrazole
CID 114988755
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
4-[chloro-(4-methylsulfonylphenyl)methyl]-1,2-difluorobenzene
CID 61086005
2-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 61086178
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
4-[chloro-(3-propoxyphenyl)methyl]-1,2-difluorobenzene
CID 63431622
5-bromo-6-[chloro-(3,4-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373585

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole?
The IUPAC name of 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole (CID 114990648) is 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole is Fc1ccc(C(Cl)c2cn[nH]c2)cc1F.
What is the InChIKey of 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole?
The InChIKey is INBBAAZXOPKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c11-10(7-4-14-15-5-7)6-1-2-8(12)9(13)3-6/h1-5,10H,(H,14,15).
What are the key properties of 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole?
4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole has a molecular weight of 228.63 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(3,4-difluorophenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 114990648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).