5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

C8H14N4O — CID 20662568

IUPAC5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C8H14N4O/c1-4(2)12-7(9)6(8(10)13)5(3)11-12/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyFZABGPXTSOOWSM-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.45
Rot. Bonds2

About 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 20662568) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID20662568
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C8H14N4O/c1-4(2)12-7(9)6(8(10)13)5(3)11-12/h4H,9H2,1-3H3,(H2,10,13)
InChIKeyFZABGPXTSOOWSM-UHFFFAOYSA-N
XLogP0.45
TPSA86.93 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 ≤ 50.45
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-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 20662568) is 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1nn(C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is FZABGPXTSOOWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4(2)12-7(9)6(8(10)13)5(3)11-12/h4H,9H2,1-3H3,(H2,10,13).
What are the key properties of 5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.45, 2 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-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20662568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).