5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide

C10H18N4O — CID 18629230

IUPAC5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)14-9(11)8(10(12)15)6(3)13-14/h7H,4-5,11H2,1-3H3,(H2,12,15)
InChIKeyVNJFWZDWTIFMRF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide

5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 18629230) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide
PubChem CID18629230
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)14-9(11)8(10(12)15)6(3)13-14/h7H,4-5,11H2,1-3H3,(H2,12,15)
InChIKeyVNJFWZDWTIFMRF-UHFFFAOYSA-N
XLogP1.23
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide (CID 18629230) is 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)n1nc(C)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is VNJFWZDWTIFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-7(5-2)14-9(11)8(10(12)15)6(3)13-14/h7H,4-5,11H2,1-3H3,(H2,12,15).
What are the key properties of 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide?
5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 18629230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).