5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide

C9H16N4O — CID 117213760

IUPAC5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)C)c1N
InChIInChI=1S/C9H16N4O/c1-6(2)13-8(10)7(5-11-13)9(14)12(3)4/h5-6H,10H2,1-4H3
InChIKeyJXLSJQHMIPPMIM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.75
Rot. Bonds2

About 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide

5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 117213760) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID117213760
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N(C)C)c1N
InChIInChI=1S/C9H16N4O/c1-6(2)13-8(10)7(5-11-13)9(14)12(3)4/h5-6H,10H2,1-4H3
InChIKeyJXLSJQHMIPPMIM-UHFFFAOYSA-N
XLogP0.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide (CID 117213760) is 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N(C)C)c1N.
What is the InChIKey of 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JXLSJQHMIPPMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)13-8(10)7(5-11-13)9(14)12(3)4/h5-6H,10H2,1-4H3.
What are the key properties of 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dimethyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 117213760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).