1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one

C13H15N5O — CID 117396384

IUPAC1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one
SMILESCn1nc(-c2ccccc2N2CCC(=O)N2)cc1N
InChIInChI=1S/C13H15N5O/c1-17-12(14)8-10(15-17)9-4-2-3-5-11(9)18-7-6-13(19)16-18/h2-5,8H,6-7,14H2,1H3,(H,16,19)
InChIKeyUFLHJPLQCSRFPY-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.91
Rot. Bonds2

About 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one

1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one (PubChem CID 117396384) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one
PubChem CID117396384
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one
SMILESCn1nc(-c2ccccc2N2CCC(=O)N2)cc1N
InChIInChI=1S/C13H15N5O/c1-17-12(14)8-10(15-17)9-4-2-3-5-11(9)18-7-6-13(19)16-18/h2-5,8H,6-7,14H2,1H3,(H,16,19)
InChIKeyUFLHJPLQCSRFPY-UHFFFAOYSA-N
XLogP0.91
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]piperazine-2,5-dione
CID 117459419
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117433260
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435286
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
CID 117355382
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446
1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
CID 84674088
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]ethanol
CID 115111899
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
CID 115111918
3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117350766
1-(2-methylphenyl)diazinan-3-one
CID 15056538
1,3-dimethyl-8-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
CID 79288770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one (CID 117396384) is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one is Cn1nc(-c2ccccc2N2CCC(=O)N2)cc1N.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one?
The InChIKey is UFLHJPLQCSRFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-17-12(14)8-10(15-17)9-4-2-3-5-11(9)18-7-6-13(19)16-18/h2-5,8H,6-7,14H2,1H3,(H,16,19).
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one?
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one has a molecular weight of 257.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117396384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).