N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide

C12H22N4O — CID 102809912

IUPACN-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(CCN)C(=O)c1cn(C)nc1CC
InChIInChI=1S/C12H22N4O/c1-4-7-16(8-6-13)12(17)10-9-15(3)14-11(10)5-2/h9H,4-8,13H2,1-3H3
InChIKeyQWHWUBJCUIGJIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.79
Rot. Bonds6

About N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide

N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 102809912) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
PubChem CID102809912
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCN(CCN)C(=O)c1cn(C)nc1CC
InChIInChI=1S/C12H22N4O/c1-4-7-16(8-6-13)12(17)10-9-15(3)14-11(10)5-2/h9H,4-8,13H2,1-3H3
InChIKeyQWHWUBJCUIGJIC-UHFFFAOYSA-N
XLogP0.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
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-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
CID 146680636
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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide (CID 102809912) is N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide is CCCN(CCN)C(=O)c1cn(C)nc1CC.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is QWHWUBJCUIGJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-7-16(8-6-13)12(17)10-9-15(3)14-11(10)5-2/h9H,4-8,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide?
N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-1-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 102809912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).