5-amino-1-propan-2-ylpyrazole-4-carboxamide

C7H12N4O — CID 1263609

IUPAC5-amino-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(N)=O)c1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-6(8)5(3-10-11)7(9)12/h3-4H,8H2,1-2H3,(H2,9,12)
InChIKeyCVWQIYNNOPJHPG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.15
Rot. Bonds2

About 5-amino-1-propan-2-ylpyrazole-4-carboxamide

5-amino-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 1263609) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-amino-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID1263609
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-amino-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(N)=O)c1N
InChIInChI=1S/C7H12N4O/c1-4(2)11-6(8)5(3-10-11)7(9)12/h3-4H,8H2,1-2H3,(H2,9,12)
InChIKeyCVWQIYNNOPJHPG-UHFFFAOYSA-N
XLogP0.15
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-propan-2-ylpyrazole-4-carboxamide (CID 1263609) is 5-amino-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CVWQIYNNOPJHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)11-6(8)5(3-10-11)7(9)12/h3-4H,8H2,1-2H3,(H2,9,12).
What are the key properties of 5-amino-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1263609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).