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

C27H34N4O2 — CID 3921489

IUPAC3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-26(19-25(29-31)22-11-13-24(33-3)14-12-22)27(32)28-15-7-17-30-16-5-4-9-21(30)2/h6,8,10-14,18-19,21H,4-5,7,9,15-17H2,1-3H3,(H,28,32)
InChIKeyRXDXBRFUTOZDTI-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.85
Rot. Bonds8

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

3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 3921489) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
PubChem CID3921489
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-26(19-25(29-31)22-11-13-24(33-3)14-12-22)27(32)28-15-7-17-30-16-5-4-9-21(30)2/h6,8,10-14,18-19,21H,4-5,7,9,15-17H2,1-3H3,(H,28,32)
InChIKeyRXDXBRFUTOZDTI-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)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478
3-(3-methoxyphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3565114
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759487
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (CID 3921489) is 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
The InChIKey is RXDXBRFUTOZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-26(19-25(29-31)22-11-13-24(33-3)14-12-22)27(32)28-15-7-17-30-16-5-4-9-21(30)2/h6,8,10-14,18-19,21H,4-5,7,9,15-17H2,1-3H3,(H,28,32).
What are the key properties of 3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-(3-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-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 3921489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).