N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C9H13F3N4O2 — CID 103205710

IUPACN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1ncc(N)c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-16-8(6(13)4-14-16)15-7(17)2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyGVMIIXPNZKXNKV-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.91
Rot. Bonds5

About N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205710) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205710
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCn1ncc(N)c1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-16-8(6(13)4-14-16)15-7(17)2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyGVMIIXPNZKXNKV-UHFFFAOYSA-N
XLogP0.91
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205710) is N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide is Cn1ncc(N)c1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GVMIIXPNZKXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-16-8(6(13)4-14-16)15-7(17)2-3-18-5-9(10,11)12/h4H,2-3,5,13H2,1H3,(H,15,17).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 266.22 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).