N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C14H15ClFN3O — CID 9439146

IUPACN-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c1-8-11(9(2)19-18-8)4-6-14(20)17-10-3-5-13(16)12(15)7-10/h3,5,7H,4,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQRDOSHIDKXXUHM-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.39
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 9439146) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID9439146
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c1-8-11(9(2)19-18-8)4-6-14(20)17-10-3-5-13(16)12(15)7-10/h3,5,7H,4,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQRDOSHIDKXXUHM-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 9439146) is N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is QRDOSHIDKXXUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8-11(9(2)19-18-8)4-6-14(20)17-10-3-5-13(16)12(15)7-10/h3,5,7H,4,6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 295.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 9439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).