3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine

C24H28F3N3 — CID 143803153

IUPAC3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine
SMILESC=C(C)N1N=C(c2cc(F)ccc2F)CC1(c1cc(F)ccc1C)C(CC)CCN
InChIInChI=1S/C24H28F3N3/c1-5-17(10-11-28)24(21-13-19(26)7-6-16(21)4)14-23(29-30(24)15(2)3)20-12-18(25)8-9-22(20)27/h6-9,12-13,17H,2,5,10-11,14,28H2,1,3-4H3
InChIKeyWHYJJNIPFGRFQJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.63
Rot. Bonds7

About 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine

3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine (PubChem CID 143803153) has the molecular formula C24H28F3N3 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine
PubChem CID143803153
Molecular FormulaC24H28F3N3
Molecular Weight415.50 g/mol
Exact Mass415.22
IUPAC Name3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine
SMILESC=C(C)N1N=C(c2cc(F)ccc2F)CC1(c1cc(F)ccc1C)C(CC)CCN
InChIInChI=1S/C24H28F3N3/c1-5-17(10-11-28)24(21-13-19(26)7-6-16(21)4)14-23(29-30(24)15(2)3)20-12-18(25)8-9-22(20)27/h6-9,12-13,17H,2,5,10-11,14,28H2,1,3-4H3
InChIKeyWHYJJNIPFGRFQJ-UHFFFAOYSA-N
XLogP5.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11848366
(S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435350
3-(4-Fluorophenyl)-2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazole
CID 2737842
2-Methyl-3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 72164307
3-(2,5-difluorophenyl)-1,5-dimethyl-5-phenyl-4H-pyrazole
CID 10193000
1-[(5R)-5-[(2R)-3-amino-2-fluoropropyl]-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 11959881
1-[(5S)-5-[(3R)-3-amino-4-fluorobutyl]-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 11959980
1-[(5S)-5-[(3S)-3-amino-4-fluorobutyl]-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 11959981
[3-[(5S)-1-Acetyl-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]-1-(fluoromethyl)propyl]amine
CID 57577506
1-[(5R)-5-[(3S)-3-amino-4-fluorobutyl]-3-(2,5-difluorophenyl)-5-phenyl-4H-pyrazol-1-yl]ethanone
CID 68979454
(2S)-3-[(3R)-2-(1-cyclopropylpentyl)-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]-2-fluoropropan-1-amine
CID 69033121
(2S)-3-[(3R)-2-(5-cyclopropylpentyl)-5-(2,5-difluorophenyl)-3-phenyl-4H-pyrazol-3-yl]-2-fluoropropan-1-amine
CID 69033122

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine?
The IUPAC name of 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine (CID 143803153) is 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine.
What is the SMILES notation for 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine?
The canonical SMILES for 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine is C=C(C)N1N=C(c2cc(F)ccc2F)CC1(c1cc(F)ccc1C)C(CC)CCN.
What is the InChIKey of 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine?
The InChIKey is WHYJJNIPFGRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3/c1-5-17(10-11-28)24(21-13-19(26)7-6-16(21)4)14-23(29-30(24)15(2)3)20-12-18(25)8-9-22(20)27/h6-9,12-13,17H,2,5,10-11,14,28H2,1,3-4H3.
What are the key properties of 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine?
3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine has a molecular weight of 415.50 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-difluorophenyl)-3-(5-fluoro-2-methylphenyl)-2-prop-1-en-2-yl-4H-pyrazol-3-yl]pentan-1-amine is sourced from PubChem (CID 143803153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).