5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide

C16H21N3O2 — CID 74236598

IUPAC5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCc2ccc(O)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-3-14-11(2)15(19-18-14)16(21)17-10-4-5-12-6-8-13(20)9-7-12/h6-9,20H,3-5,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLCPGAWMTGWAJFY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.35
Rot. Bonds6

About 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 74236598) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID74236598
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCc2ccc(O)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-3-14-11(2)15(19-18-14)16(21)17-10-4-5-12-6-8-13(20)9-7-12/h6-9,20H,3-5,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyLCPGAWMTGWAJFY-UHFFFAOYSA-N
XLogP2.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 72906428
N-(3-amino-3-oxopropyl)-5-ethyl-4-methyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 74236543
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
3,5-dichloro-N-[3-(4-hydroxyphenyl)propyl]benzamide
CID 86972888
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
4-bromo-1-(4-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]pyrazole-3-carboxamide
CID 86972854

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide (CID 74236598) is 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCCc2ccc(O)cc2)c1C.
What is the InChIKey of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is LCPGAWMTGWAJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-14-11(2)15(19-18-14)16(21)17-10-4-5-12-6-8-13(20)9-7-12/h6-9,20H,3-5,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-hydroxyphenyl)propyl]-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74236598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).