3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide

C11H20N4O — CID 102810325

IUPAC3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)CCNC
InChIInChI=1S/C11H20N4O/c1-5-10-9(8-15(4)13-10)11(16)14(3)7-6-12-2/h8,12H,5-7H2,1-4H3
InChIKeyAWIJHFZHFBMGDJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.27
Rot. Bonds5

About 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide

3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 102810325) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
PubChem CID102810325
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(C)CCNC
InChIInChI=1S/C11H20N4O/c1-5-10-9(8-15(4)13-10)11(16)14(3)7-6-12-2/h8,12H,5-7H2,1-4H3
InChIKeyAWIJHFZHFBMGDJ-UHFFFAOYSA-N
XLogP0.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1H-imidazol-2-ylmethyl)-N,1-dimethylpyrazole-4-carboxamide
CID 113347479
N-[(4-bromophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 103893389
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 103894190
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102810859
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 102809914
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide (CID 102810325) is 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(C)CCNC.
What is the InChIKey of 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is AWIJHFZHFBMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-10-9(8-15(4)13-10)11(16)14(3)7-6-12-2/h8,12H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide?
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 102810325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).