4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C12H18F3N5O2 — CID 132586699

IUPAC4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESNc1cnn(CC(F)(F)F)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H18F3N5O2/c13-12(14,15)8-20-10(9(16)7-18-20)11(21)17-1-2-19-3-5-22-6-4-19/h7H,1-6,8,16H2,(H,17,21)
InChIKeyPMAUNCAOXBXIEQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP0.09
Rot. Bonds5

About 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 132586699) has the molecular formula C12H18F3N5O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID132586699
Molecular FormulaC12H18F3N5O2
Molecular Weight321.30 g/mol
Exact Mass321.14
IUPAC Name4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESNc1cnn(CC(F)(F)F)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H18F3N5O2/c13-12(14,15)8-20-10(9(16)7-18-20)11(21)17-1-2-19-3-5-22-6-4-19/h7H,1-6,8,16H2,(H,17,21)
InChIKeyPMAUNCAOXBXIEQ-UHFFFAOYSA-N
XLogP0.09
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 44755743
4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 132586559
N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110849651
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855436

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 132586699) is 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Nc1cnn(CC(F)(F)F)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is PMAUNCAOXBXIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O2/c13-12(14,15)8-20-10(9(16)7-18-20)11(21)17-1-2-19-3-5-22-6-4-19/h7H,1-6,8,16H2,(H,17,21).
What are the key properties of 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 132586699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).