(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one

C18H24N4O — CID 8023519

IUPAC(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H24N4O/c1-12(2)21-11-10-19-18(23)17(21)16-13(3)20-22(14(16)4)15-8-6-5-7-9-15/h5-9,12,17H,10-11H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyQNNQDOTYDXFEEU-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.37
Rot. Bonds3

About (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one

(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one (PubChem CID 8023519) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one
PubChem CID8023519
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(C)C
InChIInChI=1S/C18H24N4O/c1-12(2)21-11-10-19-18(23)17(21)16-13(3)20-22(14(16)4)15-8-6-5-7-9-15/h5-9,12,17H,10-11H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyQNNQDOTYDXFEEU-QGZVFWFLSA-N
XLogP2.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 18199936
2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
CID 35878494
4-[(4-tert-butylphenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 18207338
(3S)-4-(1-benzofuran-2-carbonyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 26003946
4-[2-(3,5-dimethylphenoxy)ethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 18199935
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-2-one
CID 25332813
(3S)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 8023529
(2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 39977326
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one
CID 7129008
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-2-one
CID 31666134
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51924714
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-2-one
CID 31666138

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one?
The IUPAC name of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one (CID 8023519) is (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one is Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(C)C.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one?
The InChIKey is QNNQDOTYDXFEEU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)21-11-10-19-18(23)17(21)16-13(3)20-22(14(16)4)15-8-6-5-7-9-15/h5-9,12,17H,10-11H2,1-4H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one?
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one has a molecular weight of 312.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 8023519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).