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

C19H20ClN5 — CID 22037576

IUPAC1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine
SMILESCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24)
InChIKeyROYXMGVXIACORO-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.59
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine (PubChem CID 22037576) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine
PubChem CID22037576
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine
SMILESCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24)
InChIKeyROYXMGVXIACORO-UHFFFAOYSA-N
XLogP3.59
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine (CID 22037576) is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine is CC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine?
The InChIKey is ROYXMGVXIACORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-12-25(11-10-22-13)19-17(14-6-8-21-9-7-14)18(23-24-19)15-2-4-16(20)5-3-15/h2-9,13,22H,10-12H2,1H3,(H,23,24).
What are the key properties of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine?
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine has a molecular weight of 353.86 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3-methylpiperazine is sourced from PubChem (CID 22037576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).