2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine

C19H19ClN4O — CID 22037209

IUPAC2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
SMILESCN1CCOC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C19H19ClN4O/c1-24-10-11-25-16(12-24)19-17(13-6-8-21-9-7-13)18(22-23-19)14-2-4-15(20)5-3-14/h2-9,16H,10-12H2,1H3,(H,22,23)
InChIKeyUXRIYWPDDQUXQD-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.80
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine

2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine (PubChem CID 22037209) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
PubChem CID22037209
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
SMILESCN1CCOC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C19H19ClN4O/c1-24-10-11-25-16(12-24)19-17(13-6-8-21-9-7-13)18(22-23-19)14-2-4-15(20)5-3-14/h2-9,16H,10-12H2,1H3,(H,22,23)
InChIKeyUXRIYWPDDQUXQD-UHFFFAOYSA-N
XLogP3.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine (CID 22037209) is 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine is CN1CCOC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine?
The InChIKey is UXRIYWPDDQUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-24-10-11-25-16(12-24)19-17(13-6-8-21-9-7-13)18(22-23-19)14-2-4-15(20)5-3-14/h2-9,16H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine?
2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine has a molecular weight of 354.84 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine is sourced from PubChem (CID 22037209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).