[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone

C32H25FN4O2 — CID 155811304

IUPAC[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C32H25FN4O2/c1-39-27-18-14-24(15-19-27)32(38)37-30(20-29(34-37)22-12-16-25(33)17-13-22)28-21-36(26-10-6-3-7-11-26)35-31(28)23-8-4-2-5-9-23/h2-19,21,30H,20H2,1H3
InChIKeyCGMCVJWVXKOOEW-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.68
Rot. Bonds6

About [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone

[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 155811304) has the molecular formula C32H25FN4O2 and a molecular weight of 516.58 g/mol. Its IUPAC name is [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID155811304
Molecular FormulaC32H25FN4O2
Molecular Weight516.58 g/mol
Exact Mass516.20
IUPAC Name[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C32H25FN4O2/c1-39-27-18-14-24(15-19-27)32(38)37-30(20-29(34-37)22-12-16-25(33)17-13-22)28-21-36(26-10-6-3-7-11-26)35-31(28)23-8-4-2-5-9-23/h2-19,21,30H,20H2,1H3
InChIKeyCGMCVJWVXKOOEW-UHFFFAOYSA-N
XLogP6.68
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 71600723
[(3R)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57392485
3-[5-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 146510925
[(3R)-5-(4-bromophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57394186
3-[(3S)-5-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 175667401
[3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71594548
methyl 3-[5-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoate
CID 146510942
(4-bromophenyl)-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7155110
1-[(3R)-5-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 40804337
1-[(3S)-5-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 40804336
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone (CID 155811304) is [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2N=C(c3ccc(F)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is CGMCVJWVXKOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O2/c1-39-27-18-14-24(15-19-27)32(38)37-30(20-29(34-37)22-12-16-25(33)17-13-22)28-21-36(26-10-6-3-7-11-26)35-31(28)23-8-4-2-5-9-23/h2-19,21,30H,20H2,1H3.
What are the key properties of [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone?
[3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 516.58 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-diphenylpyrazol-4-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 155811304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).