N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide

C15H18FN3O2 — CID 103939992

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(O)cc2F)n1
InChIInChI=1S/C15H18FN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-5-4-12(20)9-14(13)16/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyBEKBRQAGUCPSAR-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 103939992) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide
PubChem CID103939992
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(O)cc2F)n1
InChIInChI=1S/C15H18FN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-5-4-12(20)9-14(13)16/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyBEKBRQAGUCPSAR-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.16
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-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7831121
4-butoxy-N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]benzamide
CID 25163781
5-(2-Fluoro-4-methoxyphenyl)-1-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 46105038
5-(2-Fluoro-4-methoxyphenyl)-1-methyl-N-(propan-2-YL)-1H-pyrazole-3-carboxamide
CID 46105033
4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 47082147
N-[(1R*,2S*)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 70745624
2-(3-hydroxyphenyl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70772509
1-decyl-N-hydroxy-5-(4-hydroxyphenyl)pyrazole-3-carboxamide
CID 177659683
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-methoxybenzamide
CID 745027
US20240150334, Example 16
CID 171469115
US20240150334, Example 22
CID 171469344
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzamide
CID 1239399

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide (CID 103939992) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(O)cc2F)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is BEKBRQAGUCPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-5-4-12(20)9-14(13)16/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 291.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 103939992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).