[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

C18H20FN3 — CID 82072736

IUPAC[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCc1cccc(N2N=C(CN)CC2c2ccccc2F)c1C
InChIInChI=1S/C18H20FN3/c1-12-6-5-9-17(13(12)2)22-18(10-14(11-20)21-22)15-7-3-4-8-16(15)19/h3-9,18H,10-11,20H2,1-2H3
InChIKeyYDOXQTHTIFHWCO-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.71
Rot. Bonds3

About [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine

[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072736) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072736
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCc1cccc(N2N=C(CN)CC2c2ccccc2F)c1C
InChIInChI=1S/C18H20FN3/c1-12-6-5-9-17(13(12)2)22-18(10-14(11-20)21-22)15-7-3-4-8-16(15)19/h3-9,18H,10-11,20H2,1-2H3
InChIKeyYDOXQTHTIFHWCO-UHFFFAOYSA-N
XLogP3.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072542
[2-(4-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072730
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
2-[3-(2-fluorophenyl)-2-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072721
[3-(2-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072664
[2-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072199
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071907
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
CID 82072725
2-[2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071794
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072736) is [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is Cc1cccc(N2N=C(CN)CC2c2ccccc2F)c1C.
What is the InChIKey of [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is YDOXQTHTIFHWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-12-6-5-9-17(13(12)2)22-18(10-14(11-20)21-22)15-7-3-4-8-16(15)19/h3-9,18H,10-11,20H2,1-2H3.
What are the key properties of [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 297.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).