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

C7H12N4O — CID 18339347

IUPAC5-amino-N,N,3-trimethylpyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)N(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5-4-6(8)11(9-5)7(12)10(2)3/h4H,8H2,1-3H3
InChIKeyHUQAIQKLRWHPCG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.30
Rot. Bonds

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

5-amino-N,N,3-trimethylpyrazole-1-carboxamide (PubChem CID 18339347) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-N,N,3-trimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,N,3-trimethylpyrazole-1-carboxamide
PubChem CID18339347
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-N,N,3-trimethylpyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)N(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5-4-6(8)11(9-5)7(12)10(2)3/h4H,8H2,1-3H3
InChIKeyHUQAIQKLRWHPCG-UHFFFAOYSA-N
XLogP0.30
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.30
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,3-trimethylpyrazole-1-carboxamide?
The IUPAC name of 5-amino-N,N,3-trimethylpyrazole-1-carboxamide (CID 18339347) is 5-amino-N,N,3-trimethylpyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-N,N,3-trimethylpyrazole-1-carboxamide?
The canonical SMILES for 5-amino-N,N,3-trimethylpyrazole-1-carboxamide is Cc1cc(N)n(C(=O)N(C)C)n1.
What is the InChIKey of 5-amino-N,N,3-trimethylpyrazole-1-carboxamide?
The InChIKey is HUQAIQKLRWHPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-4-6(8)11(9-5)7(12)10(2)3/h4H,8H2,1-3H3.
What are the key properties of 5-amino-N,N,3-trimethylpyrazole-1-carboxamide?
5-amino-N,N,3-trimethylpyrazole-1-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N,3-trimethylpyrazole-1-carboxamide is sourced from PubChem (CID 18339347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).