[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H18N4O — CID 171622128

IUPAC[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)18-8-10-19(11-9-18)15(20)14-6-7-16-17-14/h2-7H,8-11H2,1H3,(H,16,17)
InChIKeyXQWPHGICRVYACP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.68
Rot. Bonds2

About [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 171622128) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID171622128
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)18-8-10-19(11-9-18)15(20)14-6-7-16-17-14/h2-7H,8-11H2,1H3,(H,16,17)
InChIKeyXQWPHGICRVYACP-UHFFFAOYSA-N
XLogP1.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70758686
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 126892861
1-(4-methylphenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 171622315
2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317788
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]phenyl]urea
CID 72949949
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56778589
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 171622128) is [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1ccc(N2CCN(C(=O)c3ccn[nH]3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XQWPHGICRVYACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-2-4-13(5-3-12)18-8-10-19(11-9-18)15(20)14-6-7-16-17-14/h2-7H,8-11H2,1H3,(H,16,17).
What are the key properties of [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 171622128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).