3-amino-N,1-dimethylpyrazole-5-carboxamide

C6H10N4O — CID 77230979

IUPAC3-amino-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)nn1C
InChIInChI=1S/C6H10N4O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H2,7,9)(H,8,11)
InChIKeyBXDJHWXXWQJSGH-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.64
Rot. Bonds1

About 3-amino-N,1-dimethylpyrazole-5-carboxamide

3-amino-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 77230979) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N,1-dimethylpyrazole-5-carboxamide
PubChem CID77230979
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name3-amino-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(N)nn1C
InChIInChI=1S/C6H10N4O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H2,7,9)(H,8,11)
InChIKeyBXDJHWXXWQJSGH-UHFFFAOYSA-N
XLogP-0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-N,1-dimethylpyrazole-5-carboxamide (CID 77230979) is 3-amino-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(N)nn1C.
What is the InChIKey of 3-amino-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is BXDJHWXXWQJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-8-6(11)4-3-5(7)9-10(4)2/h3H,1-2H3,(H2,7,9)(H,8,11).
What are the key properties of 3-amino-N,1-dimethylpyrazole-5-carboxamide?
3-amino-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 77230979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).