2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one

C19H25ClN4O — CID 19327270

IUPAC2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN4O/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)18(25)19(2,3)24-14-17(20)12-21-24/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyVTHHNCQZJZCKCE-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one

2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19327270) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19327270
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN4O/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)18(25)19(2,3)24-14-17(20)12-21-24/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyVTHHNCQZJZCKCE-UHFFFAOYSA-N
XLogP2.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 19327270) is 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one is Cc1ccccc1CN1CCN(C(=O)C(C)(C)n2cc(Cl)cn2)CC1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is VTHHNCQZJZCKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-15-6-4-5-7-16(15)13-22-8-10-23(11-9-22)18(25)19(2,3)24-14-17(20)12-21-24/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 360.89 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19327270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).