4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine

C20H29N3O2 — CID 170870373

IUPAC4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine
SMILESCC(C)Oc1ccc(CCCN2CCOCC2)cc1Cn1cccn1
InChIInChI=1S/C20H29N3O2/c1-17(2)25-20-7-6-18(5-3-9-22-11-13-24-14-12-22)15-19(20)16-23-10-4-8-21-23/h4,6-8,10,15,17H,3,5,9,11-14,16H2,1-2H3
InChIKeyMHGPUSJQHNQNMW-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds8

About 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine

4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine (PubChem CID 170870373) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine
PubChem CID170870373
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine
SMILESCC(C)Oc1ccc(CCCN2CCOCC2)cc1Cn1cccn1
InChIInChI=1S/C20H29N3O2/c1-17(2)25-20-7-6-18(5-3-9-22-11-13-24-14-12-22)15-19(20)16-23-10-4-8-21-23/h4,6-8,10,15,17H,3,5,9,11-14,16H2,1-2H3
InChIKeyMHGPUSJQHNQNMW-UHFFFAOYSA-N
XLogP2.98
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-(3,5-dimethylpyrazol-1-yl)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
CID 46980898
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
8-ethyl-5-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-oxa-5,8-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 110066277
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
(3aS,9aR)-1-[[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 110136385
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870194
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine (CID 170870373) is 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine is CC(C)Oc1ccc(CCCN2CCOCC2)cc1Cn1cccn1.
What is the InChIKey of 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine?
The InChIKey is MHGPUSJQHNQNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-17(2)25-20-7-6-18(5-3-9-22-11-13-24-14-12-22)15-19(20)16-23-10-4-8-21-23/h4,6-8,10,15,17H,3,5,9,11-14,16H2,1-2H3.
What are the key properties of 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine?
4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine has a molecular weight of 343.47 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).