N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C14H15F2N3O — CID 20950815

IUPACN-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-7(13-8(2)18-19-9(13)3)14(20)17-12-6-10(15)4-5-11(12)16/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeyACVASDAFFXUNNK-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.05
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 20950815) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID20950815
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O/c1-7(13-8(2)18-19-9(13)3)14(20)17-12-6-10(15)4-5-11(12)16/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeyACVASDAFFXUNNK-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 20950815) is N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1C(C)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is ACVASDAFFXUNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-7(13-8(2)18-19-9(13)3)14(20)17-12-6-10(15)4-5-11(12)16/h4-7H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 279.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20950815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).