N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide

C15H15F2N3O — CID 166236928

IUPACN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(c2c(F)cccc2F)CCC1)c1ccn[nH]1
InChIInChI=1S/C15H15F2N3O/c16-10-3-1-4-11(17)13(10)15(6-2-7-15)9-18-14(21)12-5-8-19-20-12/h1,3-5,8H,2,6-7,9H2,(H,18,21)(H,19,20)
InChIKeySTFZDDFHPDZVLA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.54
Rot. Bonds4

About N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide

N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 166236928) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID166236928
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(c2c(F)cccc2F)CCC1)c1ccn[nH]1
InChIInChI=1S/C15H15F2N3O/c16-10-3-1-4-11(17)13(10)15(6-2-7-15)9-18-14(21)12-5-8-19-20-12/h1,3-5,8H,2,6-7,9H2,(H,18,21)(H,19,20)
InChIKeySTFZDDFHPDZVLA-UHFFFAOYSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910
N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 167875878
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 65119924
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 131963721
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
N-[[1-(1-methylimidazol-4-yl)sulfonyl-3-phenylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 140559193
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 99791597

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide (CID 166236928) is N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1(c2c(F)cccc2F)CCC1)c1ccn[nH]1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is STFZDDFHPDZVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-10-3-1-4-11(17)13(10)15(6-2-7-15)9-18-14(21)12-5-8-19-20-12/h1,3-5,8H,2,6-7,9H2,(H,18,21)(H,19,20).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide?
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166236928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).