(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one

C19H26N4O — CID 124854894

IUPAC(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
SMILESCc1cc(C)n(-c2ccccc2CN2CCNC(=O)[C@H]2C(C)C)n1
InChIInChI=1S/C19H26N4O/c1-13(2)18-19(24)20-9-10-22(18)12-16-7-5-6-8-17(16)23-15(4)11-14(3)21-23/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,20,24)/t18-/m1/s1
InChIKeyYBOKPPCJBVEKRO-GOSISDBHSA-N
MW326.44 g/mol
LogP2.45
Rot. Bonds4

About (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one

(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one (PubChem CID 124854894) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
PubChem CID124854894
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
SMILESCc1cc(C)n(-c2ccccc2CN2CCNC(=O)[C@H]2C(C)C)n1
InChIInChI=1S/C19H26N4O/c1-13(2)18-19(24)20-9-10-22(18)12-16-7-5-6-8-17(16)23-15(4)11-14(3)21-23/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,20,24)/t18-/m1/s1
InChIKeyYBOKPPCJBVEKRO-GOSISDBHSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
4-chloro-3-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]benzoic acid
CID 146093085
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
(2S)-2-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119340285
3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one
CID 119039263
ethyl 3-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate
CID 56542808
9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70778993
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]butanamide
CID 119812835
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 171676342
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3,3,4,4-tetrafluoro-2-methylbutanamide
CID 167792453
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one (CID 124854894) is (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one is Cc1cc(C)n(-c2ccccc2CN2CCNC(=O)[C@H]2C(C)C)n1.
What is the InChIKey of (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is YBOKPPCJBVEKRO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)18-19(24)20-9-10-22(18)12-16-7-5-6-8-17(16)23-15(4)11-14(3)21-23/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one?
(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 124854894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).