(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone

C15H18N4O — CID 125020826

IUPAC(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-18-9-7-13(17-18)15(20)19-10-8-16-11-14(19)12-5-3-2-4-6-12/h2-7,9,14,16H,8,10-11H2,1H3/t14-/m1/s1
InChIKeyYFMSKXAMLVNWIO-CQSZACIVSA-N
MW270.34 g/mol
LogP1.21
Rot. Bonds2

About (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone (PubChem CID 125020826) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
PubChem CID125020826
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-18-9-7-13(17-18)15(20)19-10-8-16-11-14(19)12-5-3-2-4-6-12/h2-7,9,14,16H,8,10-11H2,1H3/t14-/m1/s1
InChIKeyYFMSKXAMLVNWIO-CQSZACIVSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124944166
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
CID 120740250
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone (CID 125020826) is (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone is Cn1ccc(C(=O)N2CCNC[C@@H]2c2ccccc2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone?
The InChIKey is YFMSKXAMLVNWIO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-9-7-13(17-18)15(20)19-10-8-16-11-14(19)12-5-3-2-4-6-12/h2-7,9,14,16H,8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone has a molecular weight of 270.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 125020826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).