(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone

C20H26ClN5O2 — CID 118526524

IUPAC(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1)n1cc(Cl)cn1
InChIInChI=1S/C20H26ClN5O2/c21-19-13-22-26(16-19)20(27)25-7-5-23(6-8-25)14-17-1-3-18(4-2-17)15-24-9-11-28-12-10-24/h1-4,13,16H,5-12,14-15H2
InChIKeyAZOUFNKGOPBTIH-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.15
Rot. Bonds4

About (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone

(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118526524) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID118526524
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1)n1cc(Cl)cn1
InChIInChI=1S/C20H26ClN5O2/c21-19-13-22-26(16-19)20(27)25-7-5-23(6-8-25)14-17-1-3-18(4-2-17)15-24-9-11-28-12-10-24/h1-4,13,16H,5-12,14-15H2
InChIKeyAZOUFNKGOPBTIH-UHFFFAOYSA-N
XLogP2.15
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526485
1-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-methylpyrazole-4-carboxamide
CID 118526909
(4-chloropyrazol-1-yl)-[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone
CID 118526712
[4-(4-chloropyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate
CID 130187548
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
CID 145315981
(4-methylpyrazol-1-yl)-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]methanone
CID 130187588
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
N-methyl-N-[1-[4-[(4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]acetamide
CID 135375904
[4-[(3-chloro-4-morpholin-4-ylphenyl)methyl]piperazin-1-yl]-[3-(methylsulfanylamino)pyrazol-1-yl]methanone
CID 145315789

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118526524) is (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(N1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1)n1cc(Cl)cn1.
What is the InChIKey of (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is AZOUFNKGOPBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c21-19-13-22-26(16-19)20(27)25-7-5-23(6-8-25)14-17-1-3-18(4-2-17)15-24-9-11-28-12-10-24/h1-4,13,16H,5-12,14-15H2.
What are the key properties of (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone?
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 403.91 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118526524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).