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

C9H13F3N4O2 — CID 103205712

IUPACN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]nc(NC(=O)CCOCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-7(13)8(16-15-5)14-6(17)2-3-18-4-9(10,11)12/h2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyJRXNYWYHOUHSSD-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.21
Rot. Bonds5

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

N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205712) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205712
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC NameN-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1[nH]nc(NC(=O)CCOCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-7(13)8(16-15-5)14-6(17)2-3-18-4-9(10,11)12/h2-4,13H2,1H3,(H2,14,15,16,17)
InChIKeyJRXNYWYHOUHSSD-UHFFFAOYSA-N
XLogP1.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205712) is N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is Cc1[nH]nc(NC(=O)CCOCC(F)(F)F)c1N.
What is the InChIKey of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JRXNYWYHOUHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5-7(13)8(16-15-5)14-6(17)2-3-18-4-9(10,11)12/h2-4,13H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 266.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).