3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide

C27H34N4O2 — CID 42755478

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C27H34N4O2/c1-20-11-13-23(14-12-20)31-26(19-25(29-31)22-9-6-10-24(18-22)33-3)27(32)28-15-7-17-30-16-5-4-8-21(30)2/h6,9-14,18-19,21H,4-5,7-8,15-17H2,1-3H3,(H,28,32)
InChIKeyTZQOVIULERIGRL-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.85
Rot. Bonds8

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 42755478) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID42755478
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C27H34N4O2/c1-20-11-13-23(14-12-20)31-26(19-25(29-31)22-9-6-10-24(18-22)33-3)27(32)28-15-7-17-30-16-5-4-8-21(30)2/h6,9-14,18-19,21H,4-5,7-8,15-17H2,1-3H3,(H,28,32)
InChIKeyTZQOVIULERIGRL-UHFFFAOYSA-N
XLogP4.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3565114
3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3921489
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7397387
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4984524
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (CID 42755478) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is TZQOVIULERIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-11-13-23(14-12-20)31-26(19-25(29-31)22-9-6-10-24(18-22)33-3)27(32)28-15-7-17-30-16-5-4-8-21(30)2/h6,9-14,18-19,21H,4-5,7-8,15-17H2,1-3H3,(H,28,32).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42755478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).