1-[(4-fluorophenyl)methyl]-5-methylpyrazole

C11H11FN2 — CID 63278751

IUPAC1-[(4-fluorophenyl)methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2/c1-9-6-7-13-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8H2,1H3
InChIKeyVEBNSERLQCBTTI-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.38
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-5-methylpyrazole

1-[(4-fluorophenyl)methyl]-5-methylpyrazole (PubChem CID 63278751) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-methylpyrazole
PubChem CID63278751
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-[(4-fluorophenyl)methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2/c1-9-6-7-13-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8H2,1H3
InChIKeyVEBNSERLQCBTTI-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propane-1-sulfonamide
CID 99842447
3-[3-fluoro-5-[(5-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 79709808
4-fluoro-2-[(5-methylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 64763415
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
N-[(4-fluorophenyl)methyl]-2-[[5-[(5-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 95921973
5-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 21106824
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
1-[(4-fluorophenyl)methyl]-5,7-dimethylindazol-4-amine
CID 123309959
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
3-methoxy-5-[(5-methylpyrazol-1-yl)methyl]aniline
CID 81149892

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methylpyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methylpyrazole (CID 63278751) is 1-[(4-fluorophenyl)methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-methylpyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-methylpyrazole is Cc1ccnn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-methylpyrazole?
The InChIKey is VEBNSERLQCBTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-9-6-7-13-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-methylpyrazole?
1-[(4-fluorophenyl)methyl]-5-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-methylpyrazole is sourced from PubChem (CID 63278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).