1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one

C14H17N5O — CID 117431151

IUPAC1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(-c3cc(N)n[nH]3)cc2)C(=O)C1
InChIInChI=1S/C14H17N5O/c1-18-6-7-19(14(20)9-18)11-4-2-10(3-5-11)12-8-13(15)17-16-12/h2-5,8H,6-7,9H2,1H3,(H3,15,16,17)
InChIKeyNTDCUINIKWZJPY-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.94
Rot. Bonds2

About 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one

1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one (PubChem CID 117431151) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
PubChem CID117431151
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(-c3cc(N)n[nH]3)cc2)C(=O)C1
InChIInChI=1S/C14H17N5O/c1-18-6-7-19(14(20)9-18)11-4-2-10(3-5-11)12-8-13(15)17-16-12/h2-5,8H,6-7,9H2,1H3,(H3,15,16,17)
InChIKeyNTDCUINIKWZJPY-UHFFFAOYSA-N
XLogP0.94
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117390947
3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-1,4-dimethylimidazol-2-one
CID 117426420
1-[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylpiperazin-2-one
CID 117463582
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
CID 153379478
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-4-methylpiperazin-2-one
CID 117436386
1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazin-2-one
CID 134595424
1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
CID 117459711
5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
CID 117429379
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
CID 117365790
4-(4-aminophenyl)-1-methyl-1,4-diazepan-5-one
CID 83706631
4-methyl-1-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117436449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one (CID 117431151) is 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one is CN1CCN(c2ccc(-c3cc(N)n[nH]3)cc2)C(=O)C1.
What is the InChIKey of 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one?
The InChIKey is NTDCUINIKWZJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-6-7-19(14(20)9-18)11-4-2-10(3-5-11)12-8-13(15)17-16-12/h2-5,8H,6-7,9H2,1H3,(H3,15,16,17).
What are the key properties of 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one?
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 117431151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).