N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C14H15F2N3O — CID 131924522

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(F)c(CNC(=O)CCc2cn[nH]c2)c1F
InChIInChI=1S/C14H15F2N3O/c1-9-2-4-12(15)11(14(9)16)8-17-13(20)5-3-10-6-18-19-7-10/h2,4,6-7H,3,5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyLSFYXLCIOFUEJP-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.25
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 131924522) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID131924522
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(F)c(CNC(=O)CCc2cn[nH]c2)c1F
InChIInChI=1S/C14H15F2N3O/c1-9-2-4-12(15)11(14(9)16)8-17-13(20)5-3-10-6-18-19-7-10/h2,4,6-7H,3,5,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyLSFYXLCIOFUEJP-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 131924522) is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide is Cc1ccc(F)c(CNC(=O)CCc2cn[nH]c2)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is LSFYXLCIOFUEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-9-2-4-12(15)11(14(9)16)8-17-13(20)5-3-10-6-18-19-7-10/h2,4,6-7H,3,5,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 279.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 131924522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).