2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine

C23H23N3O3 — CID 54440320

IUPAC2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine
SMILESCOc1ccc(C2=NN(c3cccc(OC)n3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-27-18-11-7-16(8-12-18)20-15-21(17-9-13-19(28-2)14-10-17)26(25-20)22-5-4-6-23(24-22)29-3/h4-14,21H,15H2,1-3H3
InChIKeyWNQIDGZTONXQGK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.46
Rot. Bonds6

About 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine (PubChem CID 54440320) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine
PubChem CID54440320
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine
SMILESCOc1ccc(C2=NN(c3cccc(OC)n3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-27-18-11-7-16(8-12-18)20-15-21(17-9-13-19(28-2)14-10-17)26(25-20)22-5-4-6-23(24-22)29-3/h4-14,21H,15H2,1-3H3
InChIKeyWNQIDGZTONXQGK-UHFFFAOYSA-N
XLogP4.46
TPSA56.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
[4-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylidenehydrazine
CID 3375455
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine (CID 54440320) is 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine is COc1ccc(C2=NN(c3cccc(OC)n3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine?
The InChIKey is WNQIDGZTONXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-27-18-11-7-16(8-12-18)20-15-21(17-9-13-19(28-2)14-10-17)26(25-20)22-5-4-6-23(24-22)29-3/h4-14,21H,15H2,1-3H3.
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine?
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine has a molecular weight of 389.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine is sourced from PubChem (CID 54440320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).