[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

C18H24N4O2 — CID 124589349

IUPAC[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-17(24-4)16(9-12)22-8-7-15(20-22)18(23)21-10-13(2)19-14(3)11-21/h5-9,13-14,19H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyHCVMHGCOEOZGSI-ZIAGYGMSSA-N
MW328.42 g/mol
LogP2.01
Rot. Bonds3

About [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (PubChem CID 124589349) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
PubChem CID124589349
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-17(24-4)16(9-12)22-8-7-15(20-22)18(23)21-10-13(2)19-14(3)11-21/h5-9,13-14,19H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyHCVMHGCOEOZGSI-ZIAGYGMSSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone 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-methoxy-5-methylphenyl)pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995601
(2,3-dimethylpiperazin-1-yl)-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 120572934
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
(4aS,8aR)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 96541300
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 75448752
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971207
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone
CID 110907856
[2-(1-aminoethyl)piperidin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119435117
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone (CID 124589349) is [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)n1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
The InChIKey is HCVMHGCOEOZGSI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-5-6-17(24-4)16(9-12)22-8-7-15(20-22)18(23)21-10-13(2)19-14(3)11-21/h5-9,13-14,19H,10-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone?
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 124589349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).