5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one

C15H20N4O — CID 43708877

IUPAC5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCN1CCC(Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)CC1
InChIInChI=1S/C15H20N4O/c1-19-8-6-13(7-9-19)16-12-4-2-11(3-5-12)14-10-15(20)18-17-14/h2-5,10,13,16H,6-9H2,1H3,(H2,17,18,20)
InChIKeyGYCMVMUZBNRRST-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.88
Rot. Bonds3

About 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one

5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one (PubChem CID 43708877) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one
PubChem CID43708877
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one
SMILESCN1CCC(Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)CC1
InChIInChI=1S/C15H20N4O/c1-19-8-6-13(7-9-19)16-12-4-2-11(3-5-12)14-10-15(20)18-17-14/h2-5,10,13,16H,6-9H2,1H3,(H2,17,18,20)
InChIKeyGYCMVMUZBNRRST-UHFFFAOYSA-N
XLogP1.88
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 106593889
5-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 80705724
5-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 82823553
5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 62070349
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43745344
1-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]piperidin-4-amine
CID 54864429
N-[2-methyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43735881
5-[4-[(5-methyloxolan-2-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 82833702
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]azepan-4-amine
CID 65070382

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one (CID 43708877) is 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one is CN1CCC(Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)CC1.
What is the InChIKey of 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is GYCMVMUZBNRRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-8-6-13(7-9-19)16-12-4-2-11(3-5-12)14-10-15(20)18-17-14/h2-5,10,13,16H,6-9H2,1H3,(H2,17,18,20).
What are the key properties of 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one?
5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 272.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1-methylpiperidin-4-yl)amino]phenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 43708877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).