3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one

C18H21ClN4O3 — CID 70752053

IUPAC3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-26-16-5-3-2-4-15(16)18(25)22-10-8-21(9-11-22)17(24)6-7-23-13-14(19)12-20-23/h2-5,12-13H,6-11H2,1H3
InChIKeySNZYXMPUQGVPKY-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.92
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 70752053) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID70752053
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-26-16-5-3-2-4-15(16)18(25)22-10-8-21(9-11-22)17(24)6-7-23-13-14(19)12-20-23/h2-5,12-13H,6-11H2,1H3
InChIKeySNZYXMPUQGVPKY-UHFFFAOYSA-N
XLogP1.92
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
2-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108533634
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
2-(3-chlorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110818232
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818228

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one (CID 70752053) is 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one is COc1ccccc1C(=O)N1CCN(C(=O)CCn2cc(Cl)cn2)CC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is SNZYXMPUQGVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-16-5-3-2-4-15(16)18(25)22-10-8-21(9-11-22)17(24)6-7-23-13-14(19)12-20-23/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 376.84 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70752053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).