4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C12H19F2N5O2 — CID 132586559

IUPAC4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESNc1cn(CC(F)F)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19F2N5O2/c13-10(14)8-19-7-9(15)11(17-19)12(20)16-1-2-18-3-5-21-6-4-18/h7,10H,1-6,8,15H2,(H,16,20)
InChIKeyCAOUMGIKPOXKER-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.21
Rot. Bonds6

About 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 132586559) has the molecular formula C12H19F2N5O2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID132586559
Molecular FormulaC12H19F2N5O2
Molecular Weight303.31 g/mol
Exact Mass303.15
IUPAC Name4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESNc1cn(CC(F)F)nc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19F2N5O2/c13-10(14)8-19-7-9(15)11(17-19)12(20)16-1-2-18-3-5-21-6-4-18/h7,10H,1-6,8,15H2,(H,16,20)
InChIKeyCAOUMGIKPOXKER-UHFFFAOYSA-N
XLogP-0.21
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 132586431
4-amino-1-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 107345312
4-amino-1-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 132586497
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
4-amino-N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 132586699
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 132586559) is 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Nc1cn(CC(F)F)nc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is CAOUMGIKPOXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5O2/c13-10(14)8-19-7-9(15)11(17-19)12(20)16-1-2-18-3-5-21-6-4-18/h7,10H,1-6,8,15H2,(H,16,20).
What are the key properties of 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 132586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).