N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C14H14F3N3O2 — CID 110904260

IUPACN-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NCCCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)12-6-8-20(19-12)11-4-2-10(3-5-11)13(22)18-7-1-9-21/h2-6,8,21H,1,7,9H2,(H,18,22)
InChIKeyMFRZCFIXKPOOCP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.00
Rot. Bonds5

About N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 110904260) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID110904260
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NCCCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)12-6-8-20(19-12)11-4-2-10(3-5-11)13(22)18-7-1-9-21/h2-6,8,21H,1,7,9H2,(H,18,22)
InChIKeyMFRZCFIXKPOOCP-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 86884578
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71937523
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044
N-(3-amino-3-oxopropyl)-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzamide
CID 56573138
N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 86957820
N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 126700360
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 56585394
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 71808023
N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 51125607
S-[2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576626

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 110904260) is N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is O=C(NCCCO)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is MFRZCFIXKPOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)12-6-8-20(19-12)11-4-2-10(3-5-11)13(22)18-7-1-9-21/h2-6,8,21H,1,7,9H2,(H,18,22).
What are the key properties of N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 313.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 110904260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).