1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide

C18H17FN4O — CID 60589600

IUPAC1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN4O/c1-22(12-9-14-6-4-5-11-20-14)18(24)16-10-13-23(21-16)17-8-3-2-7-15(17)19/h2-8,10-11,13H,9,12H2,1H3
InChIKeyPBOXDXQKCOXVBA-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 60589600) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
PubChem CID60589600
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN4O/c1-22(12-9-14-6-4-5-11-20-14)18(24)16-10-13-23(21-16)17-8-3-2-7-15(17)19/h2-8,10-11,13H,9,12H2,1H3
InChIKeyPBOXDXQKCOXVBA-UHFFFAOYSA-N
XLogP2.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]pyrazole-3-carboxamide
CID 55649566
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide (CID 60589600) is 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is CN(CCc1ccccn1)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PBOXDXQKCOXVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-22(12-9-14-6-4-5-11-20-14)18(24)16-10-13-23(21-16)17-8-3-2-7-15(17)19/h2-8,10-11,13H,9,12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 60589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).