5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

C8H14N4O — CID 117215316

IUPAC5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(N)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5(2)10-8(13)6-4-7(9)12(3)11-6/h4-5H,9H2,1-3H3,(H,10,13)
InChIKeyVLDSEXQABUFOKI-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.14
Rot. Bonds2

About 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 117215316) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID117215316
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(N)n(C)n1
InChIInChI=1S/C8H14N4O/c1-5(2)10-8(13)6-4-7(9)12(3)11-6/h4-5H,9H2,1-3H3,(H,10,13)
InChIKeyVLDSEXQABUFOKI-UHFFFAOYSA-N
XLogP0.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 117215316) is 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is CC(C)NC(=O)c1cc(N)n(C)n1.
What is the InChIKey of 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is VLDSEXQABUFOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)10-8(13)6-4-7(9)12(3)11-6/h4-5H,9H2,1-3H3,(H,10,13).
What are the key properties of 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 117215316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).