[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone

C18H24N4O — CID 4776530

IUPAC[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1
InChIInChI=1S/C18H24N4O/c1-14-5-4-6-16(11-14)18(23)22-9-7-21(8-10-22)13-17-12-19-20(3)15(17)2/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyAIWLMRQADGNFKQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.99
Rot. Bonds3

About [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone

[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 4776530) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID4776530
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1
InChIInChI=1S/C18H24N4O/c1-14-5-4-6-16(11-14)18(23)22-9-7-21(8-10-22)13-17-12-19-20(3)15(17)2/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyAIWLMRQADGNFKQ-UHFFFAOYSA-N
XLogP1.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 28705387
1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138994571
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073778
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbenzamide
CID 19456305
2-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(3-fluorobenzoyl)piperazin-1-yl]isoindole-1,3-dione
CID 42273706

Frequently Asked Questions

What is the IUPAC name of [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone (CID 4776530) is [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(Cc3cnn(C)c3C)CC2)c1.
What is the InChIKey of [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is AIWLMRQADGNFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-5-4-6-16(11-14)18(23)22-9-7-21(8-10-22)13-17-12-19-20(3)15(17)2/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone?
[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 312.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 4776530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).