4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide

C11H21N5O — CID 65354139

IUPAC4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H21N5O/c1-11(2,15(3)4)7-13-10(17)9-8(12)6-16(5)14-9/h6H,7,12H2,1-5H3,(H,13,17)
InChIKeyFDUSHQPXOTVWMQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.07
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 65354139) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
PubChem CID65354139
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C11H21N5O/c1-11(2,15(3)4)7-13-10(17)9-8(12)6-16(5)14-9/h6H,7,12H2,1-5H3,(H,13,17)
InChIKeyFDUSHQPXOTVWMQ-UHFFFAOYSA-N
XLogP0.07
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide (CID 65354139) is 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide is CN(C)C(C)(C)CNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FDUSHQPXOTVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,15(3)4)7-13-10(17)9-8(12)6-16(5)14-9/h6H,7,12H2,1-5H3,(H,13,17).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).