5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

C22H25N3O3 — CID 71824584

IUPAC5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-13-28-18-11-9-16(10-12-18)21-19(15-24-25-21)22(26)23-14-17-7-5-6-8-20(17)27-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPMONQKCZULARJF-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.19
Rot. Bonds9

About 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824584) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824584
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2OC)cc1
InChIInChI=1S/C22H25N3O3/c1-3-4-13-28-18-11-9-16(10-12-18)21-19(15-24-25-21)22(26)23-14-17-7-5-6-8-20(17)27-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPMONQKCZULARJF-UHFFFAOYSA-N
XLogP4.19
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 26022060
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-butoxybenzoate
CID 55416952
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824584) is 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2OC)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PMONQKCZULARJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-4-13-28-18-11-9-16(10-12-18)21-19(15-24-25-21)22(26)23-14-17-7-5-6-8-20(17)27-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).