5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

C24H26ClN7O2 — CID 12002628

IUPAC5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-n2nc(C(=O)NCCCc3nn[nH]n3)c(C)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClN7O2/c1-3-15-34-20-12-10-19(11-13-20)32-23(17-6-8-18(25)9-7-17)16(2)22(29-32)24(33)26-14-4-5-21-27-30-31-28-21/h6-13H,3-5,14-15H2,1-2H3,(H,26,33)(H,27,28,30,31)
InChIKeyJRPQHJCKANDXNK-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.17
Rot. Bonds10

About 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 12002628) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID12002628
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC Name5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-n2nc(C(=O)NCCCc3nn[nH]n3)c(C)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H26ClN7O2/c1-3-15-34-20-12-10-19(11-13-20)32-23(17-6-8-18(25)9-7-17)16(2)22(29-32)24(33)26-14-4-5-21-27-30-31-28-21/h6-13H,3-5,14-15H2,1-2H3,(H,26,33)(H,27,28,30,31)
InChIKeyJRPQHJCKANDXNK-UHFFFAOYSA-N
XLogP4.17
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-4-methyl-1-(3-sulfamoylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 91066443
1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 143368612
2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
N-[2-(2-adamantylamino)ethyl]-1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxamide
CID 166948771
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 163924024
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-triethoxysilylpropyl)pyrazole-3-carboxamide
CID 86567493
ethyl 4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]butanoate
CID 24748275
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 163427608

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (CID 12002628) is 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is CCCOc1ccc(-n2nc(C(=O)NCCCc3nn[nH]n3)c(C)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is JRPQHJCKANDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-3-15-34-20-12-10-19(11-13-20)32-23(17-6-8-18(25)9-7-17)16(2)22(29-32)24(33)26-14-4-5-21-27-30-31-28-21/h6-13H,3-5,14-15H2,1-2H3,(H,26,33)(H,27,28,30,31).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 12002628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).