3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C25H30N4O2 — CID 42755464

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C25H30N4O2/c1-19-9-11-21(12-10-19)29-24(25(30)26-13-16-28-14-4-3-5-15-28)18-23(27-29)20-7-6-8-22(17-20)31-2/h6-12,17-18H,3-5,13-16H2,1-2H3,(H,26,30)
InChIKeyHHNWTWLMFVEAAM-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.07
Rot. Bonds7

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 42755464) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID42755464
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(C)cc3)n2)c1
InChIInChI=1S/C25H30N4O2/c1-19-9-11-21(12-10-19)29-24(25(30)26-13-16-28-14-4-3-5-15-28)18-23(27-29)20-7-6-8-22(17-20)31-2/h6-12,17-18H,3-5,13-16H2,1-2H3,(H,26,30)
InChIKeyHHNWTWLMFVEAAM-UHFFFAOYSA-N
XLogP4.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4984524
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7397387
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 3958388
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758402

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 42755464) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccc(C)cc3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is HHNWTWLMFVEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19-9-11-21(12-10-19)29-24(25(30)26-13-16-28-14-4-3-5-15-28)18-23(27-29)20-7-6-8-22(17-20)31-2/h6-12,17-18H,3-5,13-16H2,1-2H3,(H,26,30).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.07, 7 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-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).