2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one

C8H10N4O — CID 98774227

IUPAC2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(N)[nH]2)[nH]1
InChIInChI=1S/C8H10N4O/c1-5-4-8(13)12(11-5)7-3-2-6(9)10-7/h2-4,10-11H,9H2,1H3
InChIKeyVVFJPPLRWCTGTD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.38
Rot. Bonds1

About 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one

2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one (PubChem CID 98774227) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one
PubChem CID98774227
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(N)[nH]2)[nH]1
InChIInChI=1S/C8H10N4O/c1-5-4-8(13)12(11-5)7-3-2-6(9)10-7/h2-4,10-11H,9H2,1H3
InChIKeyVVFJPPLRWCTGTD-UHFFFAOYSA-N
XLogP0.38
TPSA79.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one (CID 98774227) is 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccc(N)[nH]2)[nH]1.
What is the InChIKey of 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is VVFJPPLRWCTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-4-8(13)12(11-5)7-3-2-6(9)10-7/h2-4,10-11H,9H2,1H3.
What are the key properties of 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one?
2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrrol-2-yl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 98774227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).