1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone

C19H26N4O2 — CID 124999677

IUPAC1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-14-17(11-20-21(14)3)12-23-10-9-22(15(2)24)13-19(23)16-5-7-18(25-4)8-6-16/h5-8,11,19H,9-10,12-13H2,1-4H3/t19-/m0/s1
InChIKeyRQKDDDVGSPSSGW-IBGZPJMESA-N
MW342.44 g/mol
LogP2.14
Rot. Bonds4

About 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone

1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 124999677) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID124999677
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-14-17(11-20-21(14)3)12-23-10-9-22(15(2)24)13-19(23)16-5-7-18(25-4)8-6-16/h5-8,11,19H,9-10,12-13H2,1-4H3/t19-/m0/s1
InChIKeyRQKDDDVGSPSSGW-IBGZPJMESA-N
XLogP2.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 124999677) is 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc([C@@H]2CN(C(C)=O)CCN2Cc2cnn(C)c2C)cc1.
What is the InChIKey of 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is RQKDDDVGSPSSGW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(11-20-21(14)3)12-23-10-9-22(15(2)24)13-19(23)16-5-7-18(25-4)8-6-16/h5-8,11,19H,9-10,12-13H2,1-4H3/t19-/m0/s1.
What are the key properties of 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124999677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).