4-[(2,4-difluorophenyl)methyl]-1H-pyrazole

C10H8F2N2 — CID 136576223

IUPAC4-[(2,4-difluorophenyl)methyl]-1H-pyrazole
SMILESFc1ccc(Cc2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H8F2N2/c11-9-2-1-8(10(12)4-9)3-7-5-13-14-6-7/h1-2,4-6H,3H2,(H,13,14)
InChIKeyJNIODAXEDLXNCI-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.28
Rot. Bonds2

About 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole

4-[(2,4-difluorophenyl)methyl]-1H-pyrazole (PubChem CID 136576223) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-1H-pyrazole
PubChem CID136576223
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name4-[(2,4-difluorophenyl)methyl]-1H-pyrazole
SMILESFc1ccc(Cc2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H8F2N2/c11-9-2-1-8(10(12)4-9)3-7-5-13-14-6-7/h1-2,4-6H,3H2,(H,13,14)
InChIKeyJNIODAXEDLXNCI-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Phenyl-1H-pyrazol-5-amine
CID 79703
3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11196322
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
3-(4-Fluorophenyl)-1H-pyrazole
CID 688691
4-(1H-pyrazol-4-yl)aniline
CID 13977013

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole (CID 136576223) is 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole is Fc1ccc(Cc2cn[nH]c2)c(F)c1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole?
The InChIKey is JNIODAXEDLXNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-9-2-1-8(10(12)4-9)3-7-5-13-14-6-7/h1-2,4-6H,3H2,(H,13,14).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole?
4-[(2,4-difluorophenyl)methyl]-1H-pyrazole has a molecular weight of 194.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 136576223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).