N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C8H11F3N4O — CID 107493457

IUPACN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-15(4-2-12)7(16)6-1-3-13-14-6/h1,3H,2,4-5,12H2,(H,13,14)
InChIKeyNAAUSOHAQFDFNY-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.37
Rot. Bonds4

About N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 107493457) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID107493457
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)5-15(4-2-12)7(16)6-1-3-13-14-6/h1,3H,2,4-5,12H2,(H,13,14)
InChIKeyNAAUSOHAQFDFNY-UHFFFAOYSA-N
XLogP0.37
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 107493457) is N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is NCCN(CC(F)(F)F)C(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NAAUSOHAQFDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)5-15(4-2-12)7(16)6-1-3-13-14-6/h1,3H,2,4-5,12H2,(H,13,14).
What are the key properties of N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107493457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).