4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole

C27H24N2 — CID 102279447

IUPAC4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
SMILESC1=C(CCCc2c(-c3ccccc3)n[nH]c2-c2ccccc2)c2ccccc2C1
InChIInChI=1S/C27H24N2/c1-3-11-22(12-4-1)26-25(27(29-28-26)23-13-5-2-6-14-23)17-9-15-21-19-18-20-10-7-8-16-24(20)21/h1-8,10-14,16,19H,9,15,17-18H2,(H,28,29)
InChIKeyBMTCZKRGICETIC-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.71
Rot. Bonds6

About 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole

4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole (PubChem CID 102279447) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
PubChem CID102279447
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole
SMILESC1=C(CCCc2c(-c3ccccc3)n[nH]c2-c2ccccc2)c2ccccc2C1
InChIInChI=1S/C27H24N2/c1-3-11-22(12-4-1)26-25(27(29-28-26)23-13-5-2-6-14-23)17-9-15-21-19-18-20-10-7-8-16-24(20)21/h1-8,10-14,16,19H,9,15,17-18H2,(H,28,29)
InChIKeyBMTCZKRGICETIC-UHFFFAOYSA-N
XLogP6.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole?
The IUPAC name of 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole (CID 102279447) is 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole.
What is the SMILES notation for 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole?
The canonical SMILES for 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole is C1=C(CCCc2c(-c3ccccc3)n[nH]c2-c2ccccc2)c2ccccc2C1.
What is the InChIKey of 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole?
The InChIKey is BMTCZKRGICETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-3-11-22(12-4-1)26-25(27(29-28-26)23-13-5-2-6-14-23)17-9-15-21-19-18-20-10-7-8-16-24(20)21/h1-8,10-14,16,19H,9,15,17-18H2,(H,28,29).
What are the key properties of 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole?
4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole has a molecular weight of 376.50 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3H-inden-1-yl)propyl]-3,5-diphenyl-1H-pyrazole is sourced from PubChem (CID 102279447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).