4-amino-N,1-diethylpyrazole-5-carboxamide

C8H14N4O — CID 19620408

IUPAC4-amino-N,1-diethylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(N)cnn1CC
InChIInChI=1S/C8H14N4O/c1-3-10-8(13)7-6(9)5-11-12(7)4-2/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyOXTSWTYFSHETKF-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.23
Rot. Bonds3

About 4-amino-N,1-diethylpyrazole-5-carboxamide

4-amino-N,1-diethylpyrazole-5-carboxamide (PubChem CID 19620408) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-N,1-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethylpyrazole-5-carboxamide
PubChem CID19620408
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-N,1-diethylpyrazole-5-carboxamide
SMILESCCNC(=O)c1c(N)cnn1CC
InChIInChI=1S/C8H14N4O/c1-3-10-8(13)7-6(9)5-11-12(7)4-2/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyOXTSWTYFSHETKF-UHFFFAOYSA-N
XLogP0.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
1H-Pyrazole-5-carboxamide, N-cycloheptyl-1-methyl-4-nitro-
CID 903073
1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
N-cycloheptyl-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 903179
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 165415390
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415399
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
N-cyclohexyl-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084303
N-cyclohexyl-2-methyl-4-nitropyrazole-3-carboxamide
CID 745365

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-diethylpyrazole-5-carboxamide (CID 19620408) is 4-amino-N,1-diethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-diethylpyrazole-5-carboxamide is CCNC(=O)c1c(N)cnn1CC.
What is the InChIKey of 4-amino-N,1-diethylpyrazole-5-carboxamide?
The InChIKey is OXTSWTYFSHETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-10-8(13)7-6(9)5-11-12(7)4-2/h5H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of 4-amino-N,1-diethylpyrazole-5-carboxamide?
4-amino-N,1-diethylpyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 19620408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).