5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide

C8H14N4O — CID 20795829

IUPAC5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C)nn(C)c1N
InChIInChI=1S/C8H14N4O/c1-5-6(8(13)11(2)3)10-12(4)7(5)9/h9H2,1-4H3
InChIKeyQPEJRHBNRWTEFW-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.01
Rot. Bonds1

About 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide

5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide (PubChem CID 20795829) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide
PubChem CID20795829
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N(C)C)nn(C)c1N
InChIInChI=1S/C8H14N4O/c1-5-6(8(13)11(2)3)10-12(4)7(5)9/h9H2,1-4H3
InChIKeyQPEJRHBNRWTEFW-UHFFFAOYSA-N
XLogP0.01
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.01
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,1,4-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide (CID 20795829) is 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide is Cc1c(C(=O)N(C)C)nn(C)c1N.
What is the InChIKey of 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide?
The InChIKey is QPEJRHBNRWTEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-6(8(13)11(2)3)10-12(4)7(5)9/h9H2,1-4H3.
What are the key properties of 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide?
5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N,1,4-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 20795829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).