N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

C13H13ClFN3O — CID 46339411

IUPACN-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-9-4-6-18(17-9)7-5-13(19)16-10-2-3-12(15)11(14)8-10/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyFWUSPPATBOEQRB-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.01
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339411) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339411
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-9-4-6-18(17-9)7-5-13(19)16-10-2-3-12(15)11(14)8-10/h2-4,6,8H,5,7H2,1H3,(H,16,19)
InChIKeyFWUSPPATBOEQRB-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 131932476
3-[3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506486
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559486
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 46339411) is N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is FWUSPPATBOEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-9-4-6-18(17-9)7-5-13(19)16-10-2-3-12(15)11(14)8-10/h2-4,6,8H,5,7H2,1H3,(H,16,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 281.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).