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

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

4-[2-(3H-inden-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole
CID 102279443
4-ethyl-3-phenyl-5-(4-phenylphenyl)-1H-pyrazole
CID 134304912
4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
CID 102040642
5-phenyl-3-[3-(5-phenyl-4-propyl-1H-pyrazol-3-yl)phenyl]-4-propyl-1H-pyrazole
CID 118529496
4-(3H-inden-1-ylmethyl)-3,5-dimethyl-1H-pyrazole
CID 102279445
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
3H-inden-1-ylmethyl(diphenyl)phosphane
CID 102218742
3-(chloromethyl)-1H-indene
CID 55301076
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
CID 123755719
3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 129304045
dichlorozirconium;3-propyl-1H-indene
CID 175084745

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).