N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide

C11H20N4O — CID 103123157

IUPACN-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(CCN)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C11H20N4O/c1-3-9(4-6-12)8-13-11(16)10-5-7-15(2)14-10/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,13,16)
InChIKeyFQMLZXUGJZMKPW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds6

About N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide

N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103123157) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
PubChem CID103123157
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(CCN)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C11H20N4O/c1-3-9(4-6-12)8-13-11(16)10-5-7-15(2)14-10/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,13,16)
InChIKeyFQMLZXUGJZMKPW-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide
CID 103122894
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
3-ethyl-1-(1-methylpyrazol-3-yl)heptan-1-one
CID 65195809
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103123164
N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
CID 82830395

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide (CID 103123157) is N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide is CCC(CCN)CNC(=O)c1ccn(C)n1.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FQMLZXUGJZMKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(4-6-12)8-13-11(16)10-5-7-15(2)14-10/h5,7,9H,3-4,6,8,12H2,1-2H3,(H,13,16).
What are the key properties of N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide?
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103123157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).