2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole

C43H44N4O2 — CID 153415409

IUPAC2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
SMILESCCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC(C)C)ccn5)c4c3)c2)c(C(C)(C)CC)c1-c1ccc(C)cc1
InChIInChI=1S/C43H44N4O2/c1-8-37-41(30-19-17-29(5)18-20-30)42(43(6,7)9-2)47(45-37)31-13-12-14-32(25-31)49-33-21-22-36-35-15-10-11-16-38(35)46(39(36)26-33)40-27-34(23-24-44-40)48-28(3)4/h10-28H,8-9H2,1-7H3
InChIKeySVGCIJYLPIOUPB-UHFFFAOYSA-N
MW648.85 g/mol
LogP11.17
Rot. Bonds10

About 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole

2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole (PubChem CID 153415409) has the molecular formula C43H44N4O2 and a molecular weight of 648.85 g/mol. Its IUPAC name is 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
PubChem CID153415409
Molecular FormulaC43H44N4O2
Molecular Weight648.85 g/mol
Exact Mass648.35
IUPAC Name2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
SMILESCCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC(C)C)ccn5)c4c3)c2)c(C(C)(C)CC)c1-c1ccc(C)cc1
InChIInChI=1S/C43H44N4O2/c1-8-37-41(30-19-17-29(5)18-20-30)42(43(6,7)9-2)47(45-37)31-13-12-14-32(25-31)49-33-21-22-36-35-15-10-11-16-38(35)46(39(36)26-33)40-27-34(23-24-44-40)48-28(3)4/h10-28H,8-9H2,1-7H3
InChIKeySVGCIJYLPIOUPB-UHFFFAOYSA-N
XLogP11.17
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole
CID 153415650
2-[3-[4-(4-tert-butylphenyl)-5-(2-methylbutan-2-yl)-3-propan-2-ylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415787
2-[3-[5-(3,3-dimethylbutyl)-3-ethyl-4-phenylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415666
2-[3-(3,5-diethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415508
2-[3-[5-butan-2-yl-4-(3,5-diethylphenyl)-3-propylpyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153415560
2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415384
2-[3-[5-(3,3-dimethylbutyl)-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415587
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547
2-[3-[3,5-diethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-methylphenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153442884
6-(3,3-dimethylbutan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)carbazole
CID 153440829

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole (CID 153415409) is 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole is CCc1nn(-c2cccc(Oc3ccc4c5ccccc5n(-c5cc(OC(C)C)ccn5)c4c3)c2)c(C(C)(C)CC)c1-c1ccc(C)cc1.
What is the InChIKey of 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole?
The InChIKey is SVGCIJYLPIOUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N4O2/c1-8-37-41(30-19-17-29(5)18-20-30)42(43(6,7)9-2)47(45-37)31-13-12-14-32(25-31)49-33-21-22-36-35-15-10-11-16-38(35)46(39(36)26-33)40-27-34(23-24-44-40)48-28(3)4/h10-28H,8-9H2,1-7H3.
What are the key properties of 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole?
2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole has a molecular weight of 648.85 g/mol, XLogP of 11.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-ethyl-5-(2-methylbutan-2-yl)-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yloxy-2-pyridinyl)carbazole is sourced from PubChem (CID 153415409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).