N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide

C8H12F2N4O2 — CID 103205706

IUPACN-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cn[nH]c1NC(=O)CCOCC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-6(10)4-16-2-1-7(15)13-8-5(11)3-12-14-8/h3,6H,1-2,4,11H2,(H2,12,13,14,15)
InChIKeyKHBUVMWVSDDHMT-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.60
Rot. Bonds6

About N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide

N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205706) has the molecular formula C8H12F2N4O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205706
Molecular FormulaC8H12F2N4O2
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESNc1cn[nH]c1NC(=O)CCOCC(F)F
InChIInChI=1S/C8H12F2N4O2/c9-6(10)4-16-2-1-7(15)13-8-5(11)3-12-14-8/h3,6H,1-2,4,11H2,(H2,12,13,14,15)
InChIKeyKHBUVMWVSDDHMT-UHFFFAOYSA-N
XLogP0.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61393710
N-(4-amino-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 80359833
N-(4-amino-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 80360627
N-(4-amino-1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205707
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205708
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205710
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208461
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208462
3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 103209250
3-(2,2-difluoroethoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 103209305
N-(4-amino-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 107335224
N-(4-amino-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 108052618

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103205706) is N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide is Nc1cn[nH]c1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is KHBUVMWVSDDHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O2/c9-6(10)4-16-2-1-7(15)13-8-5(11)3-12-14-8/h3,6H,1-2,4,11H2,(H2,12,13,14,15).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 234.21 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).