3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide

C26H32N4O3 — CID 35377857

IUPAC3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C26H32N4O3/c1-32-21-12-13-22(24(18-21)33-2)25-23(19-30(28-25)20-10-5-3-6-11-20)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17H2,1-2H3,(H,27,31)
InChIKeyPEBUBRBUEGZUPQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.16
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide

3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide (PubChem CID 35377857) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
PubChem CID35377857
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCCC2)c(OC)c1
InChIInChI=1S/C26H32N4O3/c1-32-21-12-13-22(24(18-21)33-2)25-23(19-30(28-25)20-10-5-3-6-11-20)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17H2,1-2H3,(H,27,31)
InChIKeyPEBUBRBUEGZUPQ-UHFFFAOYSA-N
XLogP4.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 60605961
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
3-(2,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 34766943
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 112765029
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide (CID 35377857) is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCN2CCCCC2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is PEBUBRBUEGZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-32-21-12-13-22(24(18-21)33-2)25-23(19-30(28-25)20-10-5-3-6-11-20)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17H2,1-2H3,(H,27,31).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 35377857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).