N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide

C15H18FN3O — CID 129078811

IUPACN-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(F)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H18FN3O/c1-11(2)14-7-5-4-6-12(14)10-19(16)15(20)13-8-17-18(3)9-13/h4-9,11H,10H2,1-3H3
InChIKeyWMKUTRAZIZNIOY-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.07
Rot. Bonds4

About N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide

N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 129078811) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID129078811
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(F)C(=O)c1cnn(C)c1
InChIInChI=1S/C15H18FN3O/c1-11(2)14-7-5-4-6-12(14)10-19(16)15(20)13-8-17-18(3)9-13/h4-9,11H,10H2,1-3H3
InChIKeyWMKUTRAZIZNIOY-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide (CID 129078811) is N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide is CC(C)c1ccccc1CN(F)C(=O)c1cnn(C)c1.
What is the InChIKey of N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is WMKUTRAZIZNIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11(2)14-7-5-4-6-12(14)10-19(16)15(20)13-8-17-18(3)9-13/h4-9,11H,10H2,1-3H3.
What are the key properties of N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide?
N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129078811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).