[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone

C16H19ClN4O2 — CID 95754602

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C16H19ClN4O2/c1-2-23-15-11-14(18-19-15)16(22)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19)
InChIKeyRTZHIBAUOVAURU-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.42
Rot. Bonds4

About [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone (PubChem CID 95754602) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
PubChem CID95754602
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C16H19ClN4O2/c1-2-23-15-11-14(18-19-15)16(22)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19)
InChIKeyRTZHIBAUOVAURU-UHFFFAOYSA-N
XLogP2.42
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 22576732
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
[3-(2-butoxyphenyl)-1H-pyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71822697
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
N-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrazole-5-sulfonamide
CID 46297860

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone (CID 95754602) is [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone is CCOc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]n1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone?
The InChIKey is RTZHIBAUOVAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-2-23-15-11-14(18-19-15)16(22)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,19).
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone has a molecular weight of 334.81 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95754602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).