1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole

C27H22N4O — CID 58435401

IUPAC1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole
SMILESCC(C)(c1ccn(-c2ccccc2)n1)c1ccn(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C27H22N4O/c1-27(2,25-14-16-30(28-25)19-8-4-3-5-9-19)26-15-17-31(29-26)20-12-13-24-22(18-20)21-10-6-7-11-23(21)32-24/h3-18H,1-2H3
InChIKeyUYDNHJCQOBNXAN-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.28
Rot. Bonds4

About 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole

1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole (PubChem CID 58435401) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole
PubChem CID58435401
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole
SMILESCC(C)(c1ccn(-c2ccccc2)n1)c1ccn(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C27H22N4O/c1-27(2,25-14-16-30(28-25)19-8-4-3-5-9-19)26-15-17-31(29-26)20-12-13-24-22(18-20)21-10-6-7-11-23(21)32-24/h3-18H,1-2H3
InChIKeyUYDNHJCQOBNXAN-UHFFFAOYSA-N
XLogP6.28
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-phenylphenyl)-3-[2-[1-(3-phenylphenyl)pyrazol-3-yl]propan-2-yl]pyrazole
CID 59816887
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)
CID 58162114
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369923
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
8-dibenzofuran-2-yl-14-phenyl-11-propan-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 147429385
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole?
The IUPAC name of 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole (CID 58435401) is 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole.
What is the SMILES notation for 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole?
The canonical SMILES for 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole is CC(C)(c1ccn(-c2ccccc2)n1)c1ccn(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole?
The InChIKey is UYDNHJCQOBNXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-27(2,25-14-16-30(28-25)19-8-4-3-5-9-19)26-15-17-31(29-26)20-12-13-24-22(18-20)21-10-6-7-11-23(21)32-24/h3-18H,1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole?
1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole has a molecular weight of 418.50 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole is sourced from PubChem (CID 58435401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).