[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C15H18N4O — CID 81426790

IUPAC[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)CCN1
InChIInChI=1S/C15H18N4O/c1-12-10-18(8-7-16-12)15(20)13-9-17-19(11-13)14-5-3-2-4-6-14/h2-6,9,11-12,16H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyCLSIENQZDINISR-GFCCVEGCSA-N
MW270.34 g/mol
LogP1.31
Rot. Bonds2

About [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 81426790) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID81426790
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)CCN1
InChIInChI=1S/C15H18N4O/c1-12-10-18(8-7-16-12)15(20)13-9-17-19(11-13)14-5-3-2-4-6-14/h2-6,9,11-12,16H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyCLSIENQZDINISR-GFCCVEGCSA-N
XLogP1.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579544
(3-methylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 119578902
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093
(1-phenylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126466165

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 81426790) is [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)CCN1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is CLSIENQZDINISR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-10-18(8-7-16-12)15(20)13-9-17-19(11-13)14-5-3-2-4-6-14/h2-6,9,11-12,16H,7-8,10H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 81426790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).