1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine

C14H17ClN4 — CID 59442764

IUPAC1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C14H17ClN4/c1-18-6-8-19(9-7-18)14-10-13(16-17-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyPCRDMONQHNMMJG-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.48
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine

1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine (PubChem CID 59442764) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine
PubChem CID59442764
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C14H17ClN4/c1-18-6-8-19(9-7-18)14-10-13(16-17-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyPCRDMONQHNMMJG-UHFFFAOYSA-N
XLogP2.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine (CID 59442764) is 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine is CN1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine?
The InChIKey is PCRDMONQHNMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-18-6-8-19(9-7-18)14-10-13(16-17-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine?
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine has a molecular weight of 276.77 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-methylpiperazine is sourced from PubChem (CID 59442764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).