3-amino-1-methylpyrazole-5-carboxamide

C5H8N4O — CID 50896830

IUPAC3-amino-1-methylpyrazole-5-carboxamide
SMILESCn1nc(N)cc1C(N)=O
InChIInChI=1S/C5H8N4O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10)
InChIKeyHCFWBNDFFGDAHJ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.90
Rot. Bonds1

About 3-amino-1-methylpyrazole-5-carboxamide

3-amino-1-methylpyrazole-5-carboxamide (PubChem CID 50896830) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-5-carboxamide
PubChem CID50896830
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-amino-1-methylpyrazole-5-carboxamide
SMILESCn1nc(N)cc1C(N)=O
InChIInChI=1S/C5H8N4O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10)
InChIKeyHCFWBNDFFGDAHJ-UHFFFAOYSA-N
XLogP-0.90
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-methylpyrazole-5-carboxamide (CID 50896830) is 3-amino-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-methylpyrazole-5-carboxamide is Cn1nc(N)cc1C(N)=O.
What is the InChIKey of 3-amino-1-methylpyrazole-5-carboxamide?
The InChIKey is HCFWBNDFFGDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-3(5(7)10)2-4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10).
What are the key properties of 3-amino-1-methylpyrazole-5-carboxamide?
3-amino-1-methylpyrazole-5-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 50896830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).