5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide

C20H21N3O2 — CID 50954483

IUPAC5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-17(14-21-23-15)20(24)22-18-11-5-6-12-19(18)25-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXWMYMCRNQNDQCP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.98
Rot. Bonds7

About 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 50954483) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID50954483
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15-17(14-21-23-15)20(24)22-18-11-5-6-12-19(18)25-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXWMYMCRNQNDQCP-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63998640
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 50954483) is 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XWMYMCRNQNDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-17(14-21-23-15)20(24)22-18-11-5-6-12-19(18)25-13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 50954483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).