N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide

C16H19ClFN3O — CID 84594780

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H19ClFN3O/c1-10-13(11(2)20-19-10)5-7-16(22)21(3)9-12-4-6-14(17)15(18)8-12/h4,6,8H,5,7,9H2,1-3H3,(H,19,20)
InChIKeyOYPDYTNKERXFRK-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide

N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide (PubChem CID 84594780) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide
PubChem CID84594780
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H19ClFN3O/c1-10-13(11(2)20-19-10)5-7-16(22)21(3)9-12-4-6-14(17)15(18)8-12/h4,6,8H,5,7,9H2,1-3H3,(H,19,20)
InChIKeyOYPDYTNKERXFRK-UHFFFAOYSA-N
XLogP3.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea
CID 71967374
N-[(4-chloro-3-fluorophenyl)methyl]-3-hydroxy-N,4-dimethylpentanamide
CID 75482755
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512552
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
1-[2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551400
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide (CID 84594780) is N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide is Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide?
The InChIKey is OYPDYTNKERXFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-10-13(11(2)20-19-10)5-7-16(22)21(3)9-12-4-6-14(17)15(18)8-12/h4,6,8H,5,7,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide?
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide has a molecular weight of 323.80 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 84594780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).