3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

C18H26FN3O — CID 68752292

IUPAC3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)C1(C)C=C(F)N(C)N1
InChIInChI=1S/C18H26FN3O/c1-12(2)10-13(3)14-8-6-7-9-15(14)20-17(23)18(4)11-16(19)22(5)21-18/h6-9,11-13,21H,10H2,1-5H3,(H,20,23)
InChIKeyFXAVGWZRNRMGPS-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.79
Rot. Bonds5

About 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 68752292) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID68752292
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)C1(C)C=C(F)N(C)N1
InChIInChI=1S/C18H26FN3O/c1-12(2)10-13(3)14-8-6-7-9-15(14)20-17(23)18(4)11-16(19)22(5)21-18/h6-9,11-13,21H,10H2,1-5H3,(H,20,23)
InChIKeyFXAVGWZRNRMGPS-UHFFFAOYSA-N
XLogP3.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 65685
CID 65685
CID 4878604
CID 4878604
CID 2100134
CID 2100134
CID 2965175
CID 2965175
CID 201547
CID 201547
CID 3229592
CID 3229592
CID 56659250
CID 56659250
CID 11644769
CID 11644769
CID 60343
CID 60343
CID 3069983
CID 3069983
CID 4460335
CID 4460335
CID 90674116
CID 90674116

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 68752292) is 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is CC(C)CC(C)c1ccccc1NC(=O)C1(C)C=C(F)N(C)N1.
What is the InChIKey of 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FXAVGWZRNRMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12(2)10-13(3)14-8-6-7-9-15(14)20-17(23)18(4)11-16(19)22(5)21-18/h6-9,11-13,21H,10H2,1-5H3,(H,20,23).
What are the key properties of 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68752292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).