[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone

C16H20N4O — CID 82528763

IUPAC[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1
InChIInChI=1S/C16H20N4O/c1-12-4-3-5-14(10-12)20-13(2)15(11-18-20)16(21)19-8-6-17-7-9-19/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyYEIDXYSLEIPLOD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.53
Rot. Bonds2

About [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone

[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 82528763) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID82528763
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1
InChIInChI=1S/C16H20N4O/c1-12-4-3-5-14(10-12)20-13(2)15(11-18-20)16(21)19-8-6-17-7-9-19/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyYEIDXYSLEIPLOD-UHFFFAOYSA-N
XLogP1.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354409
[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528578
ethyl 1-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate
CID 36710484
[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528703
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
azepan-1-yl-[1-(3-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20936773
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
[1-(3-bromophenyl)-5-methylpyrazol-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636519
(2-hydroxyphenyl)-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55645976

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone (CID 82528763) is [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone is Cc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1.
What is the InChIKey of [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is YEIDXYSLEIPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-4-3-5-14(10-12)20-13(2)15(11-18-20)16(21)19-8-6-17-7-9-19/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone?
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82528763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).