2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole

C29H20Cl2FN3 — CID 135914596

IUPAC2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c3ccccc3c2C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C29H20Cl2FN3/c30-20-13-10-18(11-14-20)27-17-26(34-35(27)21-6-2-1-3-7-21)28-22-8-4-5-9-25(22)33-29(28)19-12-15-24(32)23(31)16-19/h1-16,27,33H,17H2
InChIKeyUSVBUTGPNFGUGD-UHFFFAOYSA-N
MW500.40 g/mol
LogP8.64
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole

2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole (PubChem CID 135914596) has the molecular formula C29H20Cl2FN3 and a molecular weight of 500.40 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole
PubChem CID135914596
Molecular FormulaC29H20Cl2FN3
Molecular Weight500.40 g/mol
Exact Mass499.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c3ccccc3c2C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C29H20Cl2FN3/c30-20-13-10-18(11-14-20)27-17-26(34-35(27)21-6-2-1-3-7-21)28-22-8-4-5-9-25(22)33-29(28)19-12-15-24(32)23(31)16-19/h1-16,27,33H,17H2
InChIKeyUSVBUTGPNFGUGD-UHFFFAOYSA-N
XLogP8.64
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 170722101
3-[(3S)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768068
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole (CID 135914596) is 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole is Fc1ccc(-c2[nH]c3ccccc3c2C2=NN(c3ccccc3)C(c3ccc(Cl)cc3)C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole?
The InChIKey is USVBUTGPNFGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2FN3/c30-20-13-10-18(11-14-20)27-17-26(34-35(27)21-6-2-1-3-7-21)28-22-8-4-5-9-25(22)33-29(28)19-12-15-24(32)23(31)16-19/h1-16,27,33H,17H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole?
2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole has a molecular weight of 500.40 g/mol, XLogP of 8.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1H-indole is sourced from PubChem (CID 135914596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).