N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

C11H20N4O — CID 102809915

IUPACN-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC(C)CCN
InChIInChI=1S/C11H20N4O/c1-4-10-9(7-15(3)14-10)11(16)13-8(2)5-6-12/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyKWHFHFGLBFACNH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.45
Rot. Bonds5

About N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102809915) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102809915
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NC(C)CCN
InChIInChI=1S/C11H20N4O/c1-4-10-9(7-15(3)14-10)11(16)13-8(2)5-6-12/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyKWHFHFGLBFACNH-UHFFFAOYSA-N
XLogP0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
N-[[4-(2-aminoethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810942

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102809915) is N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is KWHFHFGLBFACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10-9(7-15(3)14-10)11(16)13-8(2)5-6-12/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102809915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).