3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile

C27H23N5 — CID 4990750

IUPAC3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(C2CC(c3ccccc3)=NN2c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C27H23N5/c28-17-10-18-31-20-24(27(30-31)22-13-6-2-7-14-22)26-19-25(21-11-4-1-5-12-21)29-32(26)23-15-8-3-9-16-23/h1-9,11-16,20,26H,10,18-19H2
InChIKeyJJJRKVIOZHPTPC-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.82
Rot. Bonds6

About 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile

3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile (PubChem CID 4990750) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile
PubChem CID4990750
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(C2CC(c3ccccc3)=NN2c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C27H23N5/c28-17-10-18-31-20-24(27(30-31)22-13-6-2-7-14-22)26-19-25(21-11-4-1-5-12-21)29-32(26)23-15-8-3-9-16-23/h1-9,11-16,20,26H,10,18-19H2
InChIKeyJJJRKVIOZHPTPC-UHFFFAOYSA-N
XLogP5.82
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 71600462
4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
CID 25321666
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
CID 118734047
1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid
CID 2333905
1-ethyl-3-methyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]pyrazole
CID 51851957
3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid
CID 158065196
2-[2-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-3,4-dihydropyrazol-5-yl]pyrazine
CID 156612757
3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrazol-1-yl]propanenitrile
CID 9466950
4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182128
4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182127
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole
CID 3909065

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile (CID 4990750) is 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile is N#CCCn1cc(C2CC(c3ccccc3)=NN2c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile?
The InChIKey is JJJRKVIOZHPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c28-17-10-18-31-20-24(27(30-31)22-13-6-2-7-14-22)26-19-25(21-11-4-1-5-12-21)29-32(26)23-15-8-3-9-16-23/h1-9,11-16,20,26H,10,18-19H2.
What are the key properties of 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile?
3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile has a molecular weight of 417.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-phenylpyrazol-1-yl]propanenitrile is sourced from PubChem (CID 4990750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).