4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine

C16H21ClN4O — CID 71055597

IUPAC4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine
SMILESCC(C)n1nc(-c2ccccn2)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C16H21ClN4O/c1-12(2)21-14(11-20-7-9-22-10-8-20)15(17)16(19-21)13-5-3-4-6-18-13/h3-6,12H,7-11H2,1-2H3
InChIKeyVYKSYUXUNYZXHD-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.01
Rot. Bonds4

About 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine

4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine (PubChem CID 71055597) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine
PubChem CID71055597
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine
SMILESCC(C)n1nc(-c2ccccn2)c(Cl)c1CN1CCOCC1
InChIInChI=1S/C16H21ClN4O/c1-12(2)21-14(11-20-7-9-22-10-8-20)15(17)16(19-21)13-5-3-4-6-18-13/h3-6,12H,7-11H2,1-2H3
InChIKeyVYKSYUXUNYZXHD-UHFFFAOYSA-N
XLogP3.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine (CID 71055597) is 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine is CC(C)n1nc(-c2ccccn2)c(Cl)c1CN1CCOCC1.
What is the InChIKey of 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine?
The InChIKey is VYKSYUXUNYZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-12(2)21-14(11-20-7-9-22-10-8-20)15(17)16(19-21)13-5-3-4-6-18-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine?
4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine has a molecular weight of 320.82 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-propan-2-yl-5-pyridin-2-ylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 71055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).