1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine

C16H22ClN5 — CID 87069110

IUPAC1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine
SMILESCCC(c1cn[nH]c1C)N1CCN(c2cccnc2Cl)CC1
InChIInChI=1S/C16H22ClN5/c1-3-14(13-11-19-20-12(13)2)21-7-9-22(10-8-21)15-5-4-6-18-16(15)17/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyWBFFHHHCDYVMTC-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine

1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine (PubChem CID 87069110) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine
PubChem CID87069110
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine
SMILESCCC(c1cn[nH]c1C)N1CCN(c2cccnc2Cl)CC1
InChIInChI=1S/C16H22ClN5/c1-3-14(13-11-19-20-12(13)2)21-7-9-22(10-8-21)15-5-4-6-18-16(15)17/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyWBFFHHHCDYVMTC-UHFFFAOYSA-N
XLogP3.04
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine (CID 87069110) is 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine is CCC(c1cn[nH]c1C)N1CCN(c2cccnc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine?
The InChIKey is WBFFHHHCDYVMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-3-14(13-11-19-20-12(13)2)21-7-9-22(10-8-21)15-5-4-6-18-16(15)17/h4-6,11,14H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine?
1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine has a molecular weight of 319.84 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine is sourced from PubChem (CID 87069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).