2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride

C15H18ClN5O — CID 87531774

IUPAC2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride
SMILESCN1CCC(c2[nH]ncc2-c2cnc(N)c(C(=O)Cl)c2)CC1
InChIInChI=1S/C15H18ClN5O/c1-21-4-2-9(3-5-21)13-12(8-19-20-13)10-6-11(14(16)22)15(17)18-7-10/h6-9H,2-5H2,1H3,(H2,17,18)(H,19,20)
InChIKeyQXOKGLHGYJLOFZ-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride

2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride (PubChem CID 87531774) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride
PubChem CID87531774
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride
SMILESCN1CCC(c2[nH]ncc2-c2cnc(N)c(C(=O)Cl)c2)CC1
InChIInChI=1S/C15H18ClN5O/c1-21-4-2-9(3-5-21)13-12(8-19-20-13)10-6-11(14(16)22)15(17)18-7-10/h6-9H,2-5H2,1H3,(H2,17,18)(H,19,20)
InChIKeyQXOKGLHGYJLOFZ-UHFFFAOYSA-N
XLogP2.24
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride (CID 87531774) is 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride is CN1CCC(c2[nH]ncc2-c2cnc(N)c(C(=O)Cl)c2)CC1.
What is the InChIKey of 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride?
The InChIKey is QXOKGLHGYJLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-21-4-2-9(3-5-21)13-12(8-19-20-13)10-6-11(14(16)22)15(17)18-7-10/h6-9H,2-5H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride?
2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride has a molecular weight of 319.80 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 87531774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).