1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C23H25ClN4O2 — CID 75527305

IUPAC1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-18(21)8-11-23(29)28-14-12-27(13-15-28)22-16-20(25-26-22)17-6-9-19(24)10-7-17/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26)
InChIKeyLSDONIJNVZPGJX-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 75527305) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID75527305
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-18(21)8-11-23(29)28-14-12-27(13-15-28)22-16-20(25-26-22)17-6-9-19(24)10-7-17/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26)
InChIKeyLSDONIJNVZPGJX-UHFFFAOYSA-N
XLogP4.02
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 75527305) is 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1.
What is the InChIKey of 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is LSDONIJNVZPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-21-5-3-2-4-18(21)8-11-23(29)28-14-12-27(13-15-28)22-16-20(25-26-22)17-6-9-19(24)10-7-17/h2-7,9-10,16H,8,11-15H2,1H3,(H,25,26).
What are the key properties of 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 424.93 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 75527305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).