3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide

C8H14N4O — CID 123241480

IUPAC3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13)
InChIKeyPJIZSPWFGWWGQD-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.06
Rot. Bonds2

About 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide

3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 123241480) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
PubChem CID123241480
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13)
InChIKeyPJIZSPWFGWWGQD-UHFFFAOYSA-N
XLogP0.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136025888
4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
3-[3-methyl-4-oxo-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 135415516
5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
5-Amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 223698
5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 136545256
5-amino-N-[(3R)-4,4-dimethyloxolan-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 164627563
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 70980386
2-tert-butyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136355370
3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
CID 141399186
N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 141443116
5-Amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 145463398

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide (CID 123241480) is 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide is CCNC(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PJIZSPWFGWWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13).
What are the key properties of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 123241480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).