4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C12H19F3N4O2 — CID 65359294

IUPAC4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H19F3N4O2/c1-3-21-6-4-5-19(8-12(13,14)15)11(20)10-9(16)7-17-18(10)2/h7H,3-6,8,16H2,1-2H3
InChIKeyCPBWMVDJWHNXLL-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.43
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 65359294) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID65359294
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H19F3N4O2/c1-3-21-6-4-5-19(8-12(13,14)15)11(20)10-9(16)7-17-18(10)2/h7H,3-6,8,16H2,1-2H3
InChIKeyCPBWMVDJWHNXLL-UHFFFAOYSA-N
XLogP1.43
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 65359294) is 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is CPBWMVDJWHNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2/c1-3-21-6-4-5-19(8-12(13,14)15)11(20)10-9(16)7-17-18(10)2/h7H,3-6,8,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65359294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).