2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine

C22H25N5O — CID 174711200

IUPAC2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine
SMILESc1cc(-c2ccc(N3CCCC3)nc2)n(-c2ccc(C3CNCCO3)cc2)n1
InChIInChI=1S/C22H25N5O/c1-2-13-26(12-1)22-8-5-18(15-24-22)20-9-10-25-27(20)19-6-3-17(4-7-19)21-16-23-11-14-28-21/h3-10,15,21,23H,1-2,11-14,16H2
InChIKeyHNKVMYRCSZYIAE-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.20
Rot. Bonds4

About 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine

2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine (PubChem CID 174711200) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine
PubChem CID174711200
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine
SMILESc1cc(-c2ccc(N3CCCC3)nc2)n(-c2ccc(C3CNCCO3)cc2)n1
InChIInChI=1S/C22H25N5O/c1-2-13-26(12-1)22-8-5-18(15-24-22)20-9-10-25-27(20)19-6-3-17(4-7-19)21-16-23-11-14-28-21/h3-10,15,21,23H,1-2,11-14,16H2
InChIKeyHNKVMYRCSZYIAE-UHFFFAOYSA-N
XLogP3.20
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine?
The IUPAC name of 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine (CID 174711200) is 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine.
What is the SMILES notation for 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine?
The canonical SMILES for 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine is c1cc(-c2ccc(N3CCCC3)nc2)n(-c2ccc(C3CNCCO3)cc2)n1.
What is the InChIKey of 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine?
The InChIKey is HNKVMYRCSZYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-13-26(12-1)22-8-5-18(15-24-22)20-9-10-25-27(20)19-6-3-17(4-7-19)21-16-23-11-14-28-21/h3-10,15,21,23H,1-2,11-14,16H2.
What are the key properties of 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine?
2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine has a molecular weight of 375.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 174711200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).