4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide

C24H20Cl2N8O2 — CID 142930173

IUPAC4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)NC3=NNNN3)cc2)nc1
InChIInChI=1S/C24H20Cl2N8O2/c1-36-19-6-7-20(27-12-19)22-11-21(16-8-17(25)10-18(26)9-16)31-34(22)13-14-2-4-15(5-3-14)23(35)28-24-29-32-33-30-24/h2-12,32-33H,13H2,1H3,(H2,28,29,30,35)
InChIKeyCFCDVVKBUQHRIS-UHFFFAOYSA-N
MW523.38 g/mol
LogP3.59
Rot. Bonds6

About 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide

4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide (PubChem CID 142930173) has the molecular formula C24H20Cl2N8O2 and a molecular weight of 523.38 g/mol. Its IUPAC name is 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide
PubChem CID142930173
Molecular FormulaC24H20Cl2N8O2
Molecular Weight523.38 g/mol
Exact Mass522.11
IUPAC Name4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)NC3=NNNN3)cc2)nc1
InChIInChI=1S/C24H20Cl2N8O2/c1-36-19-6-7-20(27-12-19)22-11-21(16-8-17(25)10-18(26)9-16)31-34(22)13-14-2-4-15(5-3-14)23(35)28-24-29-32-33-30-24/h2-12,32-33H,13H2,1H3,(H2,28,29,30,35)
InChIKeyCFCDVVKBUQHRIS-UHFFFAOYSA-N
XLogP3.59
TPSA117.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.38
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[4-[[3-(3-chloro-5-methylphenyl)-5-(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 142930209
3-[[4-[[3-(3,5-dichlorophenyl)-5-(4-ethylphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 58626801
4-[[5-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methyl]-N-[2-(methyldiazenyl)-2-methyliminoethyl]benzamide
CID 67489725
(2S)-2-[[4-[[3-(3,5-dichlorophenyl)-5-[1-methyl-6-(trifluoromethoxy)benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 154257380
4-[[3-(3,5-dichlorophenyl)-5-[4-(hydroxymethyl)phenyl]pyrazol-1-yl]methyl]-N-[(E)-N'-hydrazinylcarbamimidoyl]benzamide
CID 142930254
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586923
N-[(2Z)-2-amino-2-[(methylideneamino)hydrazinylidene]ethyl]-4-[[3-(3,5-dichlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzamide
CID 87419813
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide (CID 142930173) is 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide is COc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)NC3=NNNN3)cc2)nc1.
What is the InChIKey of 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide?
The InChIKey is CFCDVVKBUQHRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N8O2/c1-36-19-6-7-20(27-12-19)22-11-21(16-8-17(25)10-18(26)9-16)31-34(22)13-14-2-4-15(5-3-14)23(35)28-24-29-32-33-30-24/h2-12,32-33H,13H2,1H3,(H2,28,29,30,35).
What are the key properties of 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide?
4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide has a molecular weight of 523.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dichlorophenyl)-5-(5-methoxy-2-pyridinyl)pyrazol-1-yl]methyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 142930173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).