3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide

C11H20N4O — CID 102810944

IUPAC3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCCNCCNC(=O)c1cn(C)nc1CC
InChIInChI=1S/C11H20N4O/c1-4-10-9(8-15(3)14-10)11(16)13-7-6-12-5-2/h8,12H,4-7H2,1-3H3,(H,13,16)
InChIKeyBMHLJLFOIDGMNI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.32
Rot. Bonds6

About 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide

3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 102810944) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID102810944
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCCNCCNC(=O)c1cn(C)nc1CC
InChIInChI=1S/C11H20N4O/c1-4-10-9(8-15(3)14-10)11(16)13-7-6-12-5-2/h8,12H,4-7H2,1-3H3,(H,13,16)
InChIKeyBMHLJLFOIDGMNI-UHFFFAOYSA-N
XLogP0.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 102810256
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide (CID 102810944) is 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide is CCNCCNC(=O)c1cn(C)nc1CC.
What is the InChIKey of 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BMHLJLFOIDGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10-9(8-15(3)14-10)11(16)13-7-6-12-5-2/h8,12H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).