4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide

C11H20N4O — CID 65359284

IUPAC4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O/c1-7(2)8(3)5-13-11(16)10-9(12)6-14-15(10)4/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyUJSJATZKMYGULF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359284) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
PubChem CID65359284
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O/c1-7(2)8(3)5-13-11(16)10-9(12)6-14-15(10)4/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeyUJSJATZKMYGULF-UHFFFAOYSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
CID 65359620
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
CID 114188442
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide (CID 65359284) is 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide is CC(C)C(C)CNC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is UJSJATZKMYGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)8(3)5-13-11(16)10-9(12)6-14-15(10)4/h6-8H,5,12H2,1-4H3,(H,13,16).
What are the key properties of 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).