3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one

C19H23ClN4O3 — CID 166329070

IUPAC3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESCOCc1cccc(C(=O)N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)c1
InChIInChI=1S/C19H23ClN4O3/c1-27-14-15-3-2-4-16(11-15)19(26)23-9-7-22(8-10-23)18(25)5-6-24-13-17(20)12-21-24/h2-4,11-13H,5-10,14H2,1H3
InChIKeySTFBSHYXMLIXPZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.06
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one (PubChem CID 166329070) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one
PubChem CID166329070
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one
SMILESCOCc1cccc(C(=O)N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)c1
InChIInChI=1S/C19H23ClN4O3/c1-27-14-15-3-2-4-16(11-15)19(26)23-9-7-22(8-10-23)18(25)5-6-24-13-17(20)12-21-24/h2-4,11-13H,5-10,14H2,1H3
InChIKeySTFBSHYXMLIXPZ-UHFFFAOYSA-N
XLogP2.06
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70752053
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9209986
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9368920
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanone
CID 19331374
4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482886
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one (CID 166329070) is 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one is COCc1cccc(C(=O)N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)c1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one?
The InChIKey is STFBSHYXMLIXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-27-14-15-3-2-4-16(11-15)19(26)23-9-7-22(8-10-23)18(25)5-6-24-13-17(20)12-21-24/h2-4,11-13H,5-10,14H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one has a molecular weight of 390.87 g/mol, XLogP of 2.06, 6 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-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 166329070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).