(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone

C17H22N4O — CID 125001754

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13-15(11-20(3)18-13)17(22)21-10-9-19(2)16(12-21)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeySFQFDDZAMBPLQG-INIZCTEOSA-N
MW298.39 g/mol
LogP1.86
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone (PubChem CID 125001754) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
PubChem CID125001754
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-13-15(11-20(3)18-13)17(22)21-10-9-19(2)16(12-21)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeySFQFDDZAMBPLQG-INIZCTEOSA-N
XLogP1.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
2-[(3S)-4-methyl-3-phenylpiperazine-1-carbonyl]benzonitrile
CID 99994815
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(4-methyl-3-phenylpiperazine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 56880850
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone (CID 125001754) is (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone?
The InChIKey is SFQFDDZAMBPLQG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-15(11-20(3)18-13)17(22)21-10-9-19(2)16(12-21)14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 125001754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).