5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide

C16H21N3O — CID 34317853

IUPAC5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-3-4-8-11-17-16(20)15-12-18-19(13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,20)
InChIKeySETQJMDPZZULHV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds6

About 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide

5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34317853) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
PubChem CID34317853
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-3-4-8-11-17-16(20)15-12-18-19(13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,20)
InChIKeySETQJMDPZZULHV-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30767452
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39644068
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide (CID 34317853) is 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide is CCCCCNC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is SETQJMDPZZULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-8-11-17-16(20)15-12-18-19(13(15)2)14-9-6-5-7-10-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide?
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34317853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).