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

C14H16FN3O2 — CID 43546883

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-8-13(9(2)18-17-8)16-14(19)10(3)20-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyBDTKDNUEXXCAPH-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.57
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide (PubChem CID 43546883) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
PubChem CID43546883
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)Oc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-8-13(9(2)18-17-8)16-14(19)10(3)20-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyBDTKDNUEXXCAPH-UHFFFAOYSA-N
XLogP2.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43547720
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
N-(2-amino-4-fluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 16789198
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide (CID 43546883) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide is Cc1n[nH]c(C)c1NC(=O)C(C)Oc1ccccc1F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide?
The InChIKey is BDTKDNUEXXCAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-13(9(2)18-17-8)16-14(19)10(3)20-12-7-5-4-6-11(12)15/h4-7,10H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide has a molecular weight of 277.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 43546883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).