2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

C9H14F2N4O2 — CID 107477873

IUPAC2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESNc1cnn(CC(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C9H14F2N4O2/c10-8(11)5-14(1-2-16)9(17)6-15-4-7(12)3-13-15/h3-4,8,16H,1-2,5-6,12H2
InChIKeySNPNSQXHNGJMBP-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.45
Rot. Bonds6

About 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107477873) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
PubChem CID107477873
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
SMILESNc1cnn(CC(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C9H14F2N4O2/c10-8(11)5-14(1-2-16)9(17)6-15-4-7(12)3-13-15/h3-4,8,16H,1-2,5-6,12H2
InChIKeySNPNSQXHNGJMBP-UHFFFAOYSA-N
XLogP-0.45
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide (CID 107477873) is 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is Nc1cnn(CC(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SNPNSQXHNGJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c10-8(11)5-14(1-2-16)9(17)6-15-4-7(12)3-13-15/h3-4,8,16H,1-2,5-6,12H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 248.23 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107477873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).