4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide

C9H16N4O — CID 65355148

IUPAC4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3
InChIKeyUSSGEPZDLUABBS-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide

4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide (PubChem CID 65355148) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
PubChem CID65355148
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)cc1N
InChIInChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3
InChIKeyUSSGEPZDLUABBS-UHFFFAOYSA-N
XLogP0.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
Azepan-1-yl-(1-ethyl-4-nitropyrazol-3-yl)methanone
CID 841601
1-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)azepane
CID 903178
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
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
1-ethyl-4-nitro-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844748
Etipirol
CID 166751
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide (CID 65355148) is 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is USSGEPZDLUABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-13(5-2)9(14)8-7(10)6-12(3)11-8/h6H,4-5,10H2,1-3H3.
What are the key properties of 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide?
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).