3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C8H11F3N4O — CID 64525249

IUPAC3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-2-15(4-8(9,10)11)7(16)5-3-6(12)14-13-5/h3H,2,4H2,1H3,(H3,12,13,14)
InChIKeyBPRBQUZCRCWMDN-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525249) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64525249
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H11F3N4O/c1-2-15(4-8(9,10)11)7(16)5-3-6(12)14-13-5/h3H,2,4H2,1H3,(H3,12,13,14)
InChIKeyBPRBQUZCRCWMDN-UHFFFAOYSA-N
XLogP1.02
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64525249) is 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BPRBQUZCRCWMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-2-15(4-8(9,10)11)7(16)5-3-6(12)14-13-5/h3H,2,4H2,1H3,(H3,12,13,14).
What are the key properties of 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).