2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride

C13H21ClF2N4O2 — CID 171364853

IUPAC2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NC1CC(F)(F)C1)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C13H20F2N4O2.ClH/c1-12(2,11(20)18-9-5-13(14,15)6-9)19-8-10(7-17-19)21-4-3-16;/h7-9H,3-6,16H2,1-2H3,(H,18,20);1H
InChIKeyWLBPVDAMXFFKPF-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.29
Rot. Bonds6

About 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride

2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride (PubChem CID 171364853) has the molecular formula C13H21ClF2N4O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride
PubChem CID171364853
Molecular FormulaC13H21ClF2N4O2
Molecular Weight338.79 g/mol
Exact Mass338.13
IUPAC Name2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NC1CC(F)(F)C1)n1cc(OCCN)cn1.Cl
InChIInChI=1S/C13H20F2N4O2.ClH/c1-12(2,11(20)18-9-5-13(14,15)6-9)19-8-10(7-17-19)21-4-3-16;/h7-9H,3-6,16H2,1-2H3,(H,18,20);1H
InChIKeyWLBPVDAMXFFKPF-UHFFFAOYSA-N
XLogP1.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride (CID 171364853) is 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride is CC(C)(C(=O)NC1CC(F)(F)C1)n1cc(OCCN)cn1.Cl.
What is the InChIKey of 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride?
The InChIKey is WLBPVDAMXFFKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2.ClH/c1-12(2,11(20)18-9-5-13(14,15)6-9)19-8-10(7-17-19)21-4-3-16;/h7-9H,3-6,16H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride?
2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride has a molecular weight of 338.79 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxy)pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 171364853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).