N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

C16H18FN3O — CID 71808561

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1C1CC1
InChIInChI=1S/C16H18FN3O/c1-20-15(12-4-5-12)9-14(19-20)10-18-16(21)8-11-2-6-13(17)7-3-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21)
InChIKeyTXFLPXSGYOPILH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.30
Rot. Bonds5

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 71808561) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
PubChem CID71808561
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide
SMILESCn1nc(CNC(=O)Cc2ccc(F)cc2)cc1C1CC1
InChIInChI=1S/C16H18FN3O/c1-20-15(12-4-5-12)9-14(19-20)10-18-16(21)8-11-2-6-13(17)7-3-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21)
InChIKeyTXFLPXSGYOPILH-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Penflufen
CID 11674113
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
N-[(3-tert-butyl-1-cyclohexylpyrazol-5-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804501
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
Ab-chfupyca
CID 122213879
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645919
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645920
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645921
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645922
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645926
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(1,1,2,2,2-pentafluoroethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645927
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide (CID 71808561) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is Cn1nc(CNC(=O)Cc2ccc(F)cc2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is TXFLPXSGYOPILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20-15(12-4-5-12)9-14(19-20)10-18-16(21)8-11-2-6-13(17)7-3-11/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71808561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).