4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine

C16H21N3O — CID 170869917

IUPAC4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
SMILESc1ccc(-n2cccn2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C16H21N3O/c1-2-7-16(19-10-4-8-17-19)15(5-1)6-3-9-18-11-13-20-14-12-18/h1-2,4-5,7-8,10H,3,6,9,11-14H2
InChIKeyOCAXZGFWNBSAEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.14
Rot. Bonds5

About 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine

4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine (PubChem CID 170869917) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
PubChem CID170869917
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
SMILESc1ccc(-n2cccn2)c(CCCN2CCOCC2)c1
InChIInChI=1S/C16H21N3O/c1-2-7-16(19-10-4-8-17-19)15(5-1)6-3-9-18-11-13-20-14-12-18/h1-2,4-5,7-8,10H,3,6,9,11-14H2
InChIKeyOCAXZGFWNBSAEP-UHFFFAOYSA-N
XLogP2.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 111074475
1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 138992785
4-(2-pyrazol-1-ylphenyl)butan-1-amine
CID 117307081
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine (CID 170869917) is 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine is c1ccc(-n2cccn2)c(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine?
The InChIKey is OCAXZGFWNBSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-7-16(19-10-4-8-17-19)15(5-1)6-3-9-18-11-13-20-14-12-18/h1-2,4-5,7-8,10H,3,6,9,11-14H2.
What are the key properties of 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine?
4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine is sourced from PubChem (CID 170869917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).