3-amino-2-propyl-1H-pyrazol-5-one

C6H11N3O — CID 61265521

IUPAC3-amino-2-propyl-1H-pyrazol-5-one
SMILESCCCn1[nH]c(=O)cc1N
InChIInChI=1S/C6H11N3O/c1-2-3-9-5(7)4-6(10)8-9/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyNSFYXARCERYULK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.17
Rot. Bonds2

About 3-amino-2-propyl-1H-pyrazol-5-one

3-amino-2-propyl-1H-pyrazol-5-one (PubChem CID 61265521) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-amino-2-propyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-2-propyl-1H-pyrazol-5-one
PubChem CID61265521
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-amino-2-propyl-1H-pyrazol-5-one
SMILESCCCn1[nH]c(=O)cc1N
InChIInChI=1S/C6H11N3O/c1-2-3-9-5(7)4-6(10)8-9/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyNSFYXARCERYULK-UHFFFAOYSA-N
XLogP0.17
TPSA63.81 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 ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-propyl-1H-pyrazol-5-one?
The IUPAC name of 3-amino-2-propyl-1H-pyrazol-5-one (CID 61265521) is 3-amino-2-propyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-2-propyl-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-2-propyl-1H-pyrazol-5-one is CCCn1[nH]c(=O)cc1N.
What is the InChIKey of 3-amino-2-propyl-1H-pyrazol-5-one?
The InChIKey is NSFYXARCERYULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-3-9-5(7)4-6(10)8-9/h4H,2-3,7H2,1H3,(H,8,10).
What are the key properties of 3-amino-2-propyl-1H-pyrazol-5-one?
3-amino-2-propyl-1H-pyrazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-propyl-1H-pyrazol-5-one is sourced from PubChem (CID 61265521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).