N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide

C11H20N4O — CID 102809911

IUPACN-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CC)CCN
InChIInChI=1S/C11H20N4O/c1-4-10-9(8-14(3)13-10)11(16)15(5-2)7-6-12/h8H,4-7,12H2,1-3H3
InChIKeyKEZJLTAPGKDYDZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.40
Rot. Bonds5

About N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide

N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102809911) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
PubChem CID102809911
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CC)CCN
InChIInChI=1S/C11H20N4O/c1-4-10-9(8-14(3)13-10)11(16)15(5-2)7-6-12/h8H,4-7,12H2,1-3H3
InChIKeyKEZJLTAPGKDYDZ-UHFFFAOYSA-N
XLogP0.40
TPSA64.15 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
CID 102809912
N-(3-aminopropyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 102809914
N-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809889
3-ethyl-N,1-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 102810325
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102810859
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 102810254
N-(4-aminocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809870
N-[(4-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809971
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102811123
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide (CID 102809911) is N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CC)CCN.
What is the InChIKey of N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is KEZJLTAPGKDYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10-9(8-14(3)13-10)11(16)15(5-2)7-6-12/h8H,4-7,12H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide?
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102809911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).