5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide

C18H25N3O3 — CID 86916114

IUPAC5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCOCC(C)C)cc1
InChIInChI=1S/C18H25N3O3/c1-13(2)12-24-10-4-9-19-18(22)16-11-20-21-17(16)14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFOUWCZPKZDESCL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.88
Rot. Bonds9

About 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide

5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 86916114) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
PubChem CID86916114
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCOCC(C)C)cc1
InChIInChI=1S/C18H25N3O3/c1-13(2)12-24-10-4-9-19-18(22)16-11-20-21-17(16)14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFOUWCZPKZDESCL-UHFFFAOYSA-N
XLogP2.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.88
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

N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
CID 30544747
5-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86979261
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
2-fluoroethyl 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 75523916
5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 91638920

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide (CID 86916114) is 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NCCCOCC(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FOUWCZPKZDESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(2)12-24-10-4-9-19-18(22)16-11-20-21-17(16)14-5-7-15(23-3)8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86916114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).