[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone

C18H23ClN4O — CID 19478097

IUPAC[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)n1
InChIInChI=1S/C18H23ClN4O/c1-3-23-13-16(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-6-4-5-7-17(15)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyJNPBSOAJTCYMJP-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.82
Rot. Bonds4

About [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone (PubChem CID 19478097) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
PubChem CID19478097
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)n1
InChIInChI=1S/C18H23ClN4O/c1-3-23-13-16(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-6-4-5-7-17(15)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyJNPBSOAJTCYMJP-UHFFFAOYSA-N
XLogP2.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478100
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518857
[2-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19479156
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 19333939
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 19294948
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone (CID 19478097) is [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone is CCn1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)n1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone?
The InChIKey is JNPBSOAJTCYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-3-23-13-16(14(2)20-23)18(24)22-10-8-21(9-11-22)12-15-6-4-5-7-17(15)19/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone?
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone has a molecular weight of 346.86 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 19478097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).