2-(propan-2-ylamino)-1H-pyrazol-3-one

C6H11N3O — CID 69235738

IUPAC2-(propan-2-ylamino)-1H-pyrazol-3-one
SMILESCC(C)Nn1[nH]ccc1=O
InChIInChI=1S/C6H11N3O/c1-5(2)8-9-6(10)3-4-7-9/h3-5,7-8H,1-2H3
InChIKeyFYRLXPFDGUNSOA-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.13
Rot. Bonds2

About 2-(propan-2-ylamino)-1H-pyrazol-3-one

2-(propan-2-ylamino)-1H-pyrazol-3-one (PubChem CID 69235738) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1H-pyrazol-3-one
PubChem CID69235738
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(propan-2-ylamino)-1H-pyrazol-3-one
SMILESCC(C)Nn1[nH]ccc1=O
InChIInChI=1S/C6H11N3O/c1-5(2)8-9-6(10)3-4-7-9/h3-5,7-8H,1-2H3
InChIKeyFYRLXPFDGUNSOA-UHFFFAOYSA-N
XLogP0.13
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22918616
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CID 129766681
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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1H-pyrazol-3-one?
The IUPAC name of 2-(propan-2-ylamino)-1H-pyrazol-3-one (CID 69235738) is 2-(propan-2-ylamino)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(propan-2-ylamino)-1H-pyrazol-3-one?
The canonical SMILES for 2-(propan-2-ylamino)-1H-pyrazol-3-one is CC(C)Nn1[nH]ccc1=O.
What is the InChIKey of 2-(propan-2-ylamino)-1H-pyrazol-3-one?
The InChIKey is FYRLXPFDGUNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(2)8-9-6(10)3-4-7-9/h3-5,7-8H,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1H-pyrazol-3-one?
2-(propan-2-ylamino)-1H-pyrazol-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1H-pyrazol-3-one is sourced from PubChem (CID 69235738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).