N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

C11H20N4O — CID 66121273

IUPACN-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCC(CN)NC(=O)c1cc(C)nn1CC
InChIInChI=1S/C11H20N4O/c1-4-9(7-12)13-11(16)10-6-8(3)14-15(10)5-2/h6,9H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyZZWAYPYABCRQJY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.68
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 66121273) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID66121273
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCC(CN)NC(=O)c1cc(C)nn1CC
InChIInChI=1S/C11H20N4O/c1-4-9(7-12)13-11(16)10-6-8(3)14-15(10)5-2/h6,9H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyZZWAYPYABCRQJY-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 62732888
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 66121273) is N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCC(CN)NC(=O)c1cc(C)nn1CC.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is ZZWAYPYABCRQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9(7-12)13-11(16)10-6-8(3)14-15(10)5-2/h6,9H,4-5,7,12H2,1-3H3,(H,13,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66121273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).