N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

C17H20FN3O2 — CID 129472427

IUPACN-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cn(C)nc1[C@@H]1CCOC1
InChIInChI=1S/C17H20FN3O2/c1-20(9-12-5-3-4-6-15(12)18)17(22)14-10-21(2)19-16(14)13-7-8-23-11-13/h3-6,10,13H,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyQVWDVVXMCHRIFR-CYBMUJFWSA-N
MW317.36 g/mol
LogP2.34
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 129472427) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID129472427
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)c1cn(C)nc1[C@@H]1CCOC1
InChIInChI=1S/C17H20FN3O2/c1-20(9-12-5-3-4-6-15(12)18)17(22)14-10-21(2)19-16(14)13-7-8-23-11-13/h3-6,10,13H,7-9,11H2,1-2H3/t13-/m1/s1
InChIKeyQVWDVVXMCHRIFR-CYBMUJFWSA-N
XLogP2.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473437
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 167848659
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
N-[(3-fluorophenyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472232
5-(cyclopentanecarbonylamino)-N-[(2-fluorophenyl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 51999602
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-carboxamide
CID 129477879

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide (CID 129472427) is N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is CN(Cc1ccccc1F)C(=O)c1cn(C)nc1[C@@H]1CCOC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is QVWDVVXMCHRIFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20(9-12-5-3-4-6-15(12)18)17(22)14-10-21(2)19-16(14)13-7-8-23-11-13/h3-6,10,13H,7-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,1-dimethyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129472427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).