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

C7H12N4O — CID 22977829

IUPAC5-amino-N,1,4-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(N)c1C
InChIInChI=1S/C7H12N4O/c1-4-5(7(12)9-2)10-11(3)6(4)8/h8H2,1-3H3,(H,9,12)
InChIKeyBQMHBQOGKQOEEE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.33
Rot. Bonds1

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

5-amino-N,1,4-trimethylpyrazole-3-carboxamide (PubChem CID 22977829) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-N,1,4-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N,1,4-trimethylpyrazole-3-carboxamide
PubChem CID22977829
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-N,1,4-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(N)c1C
InChIInChI=1S/C7H12N4O/c1-4-5(7(12)9-2)10-11(3)6(4)8/h8H2,1-3H3,(H,9,12)
InChIKeyBQMHBQOGKQOEEE-UHFFFAOYSA-N
XLogP-0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,1,4-trimethylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N,1,4-trimethylpyrazole-3-carboxamide (CID 22977829) is 5-amino-N,1,4-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N,1,4-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N,1,4-trimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)c(N)c1C.
What is the InChIKey of 5-amino-N,1,4-trimethylpyrazole-3-carboxamide?
The InChIKey is BQMHBQOGKQOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-5(7(12)9-2)10-11(3)6(4)8/h8H2,1-3H3,(H,9,12).
What are the key properties of 5-amino-N,1,4-trimethylpyrazole-3-carboxamide?
5-amino-N,1,4-trimethylpyrazole-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,1,4-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 22977829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).