3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide

C11H20N4O — CID 63958401

IUPAC3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C11H20N4O/c1-6-11(3,4)15(5)10(16)8-7(2)13-14-9(8)12/h6H2,1-5H3,(H3,12,13,14)
InChIKeyQIEXSNNPBGEZDC-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide

3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 63958401) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID63958401
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C11H20N4O/c1-6-11(3,4)15(5)10(16)8-7(2)13-14-9(8)12/h6H2,1-5H3,(H3,12,13,14)
InChIKeyQIEXSNNPBGEZDC-UHFFFAOYSA-N
XLogP1.56
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide (CID 63958401) is 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide is CCC(C)(C)N(C)C(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is QIEXSNNPBGEZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-6-11(3,4)15(5)10(16)8-7(2)13-14-9(8)12/h6H2,1-5H3,(H3,12,13,14).
What are the key properties of 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide?
3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63958401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).