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

C19H20ClN5 — CID 57304022

IUPAC1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H20ClN5/c20-15-3-1-14(2-4-15)18-17(13-5-9-22-10-6-13)19(24-23-18)25-11-7-16(21)8-12-25/h1-6,9-10,16H,7-8,11-12,21H2,(H,23,24)
InChIKeyROFZFDXZCMDVEF-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.72
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine (PubChem CID 57304022) 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]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
PubChem CID57304022
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
SMILESNC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H20ClN5/c20-15-3-1-14(2-4-15)18-17(13-5-9-22-10-6-13)19(24-23-18)25-11-7-16(21)8-12-25/h1-6,9-10,16H,7-8,11-12,21H2,(H,23,24)
InChIKeyROFZFDXZCMDVEF-UHFFFAOYSA-N
XLogP3.72
TPSA70.83 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 ≤ 53.72
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]piperidin-4-amine?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine (CID 57304022) is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine is NC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine?
The InChIKey is ROFZFDXZCMDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-15-3-1-14(2-4-15)18-17(13-5-9-22-10-6-13)19(24-23-18)25-11-7-16(21)8-12-25/h1-6,9-10,16H,7-8,11-12,21H2,(H,23,24).
What are the key properties of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine?
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine has a molecular weight of 353.86 g/mol, XLogP of 3.72, 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]piperidin-4-amine is sourced from PubChem (CID 57304022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).