N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C10H15F2N3O2 — CID 113462761

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O2/c1-6-8(7(2)15-14-6)3-9(17)13-4-10(11,12)5-16/h16H,3-5H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyCZWQJEFXTWBMQM-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.31
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 113462761) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID113462761
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O2/c1-6-8(7(2)15-14-6)3-9(17)13-4-10(11,12)5-16/h16H,3-5H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyCZWQJEFXTWBMQM-UHFFFAOYSA-N
XLogP0.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 113462761) is N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is CZWQJEFXTWBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-6-8(7(2)15-14-6)3-9(17)13-4-10(11,12)5-16/h16H,3-5H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 247.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 113462761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).