[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone

C19H22FN3O2 — CID 136557448

IUPAC[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccnn1CC1CCC1)N1CCOCC1c1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-16-6-2-5-15(11-16)18-13-25-10-9-22(18)19(24)17-7-8-21-23(17)12-14-3-1-4-14/h2,5-8,11,14,18H,1,3-4,9-10,12-13H2
InChIKeySVXZRIKYJAGXQE-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.04
Rot. Bonds4

About [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone

[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 136557448) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
PubChem CID136557448
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccnn1CC1CCC1)N1CCOCC1c1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-16-6-2-5-15(11-16)18-13-25-10-9-22(18)19(24)17-7-8-21-23(17)12-14-3-1-4-14/h2,5-8,11,14,18H,1,3-4,9-10,12-13H2
InChIKeySVXZRIKYJAGXQE-UHFFFAOYSA-N
XLogP3.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
2-[5-(2-phenylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482706
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
3-(3-fluorophenyl)-4-pyridin-4-ylsulfonylmorpholine
CID 154763427
(E)-1-[3-(3-fluorophenyl)morpholin-4-yl]-N-iodomethanimine
CID 143894815
[3-(1-methylpyrazol-4-yl)morpholin-4-yl]-[2-(oxan-4-yl)pyrazol-3-yl]methanone
CID 167835245
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120736841
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone (CID 136557448) is [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone is O=C(c1ccnn1CC1CCC1)N1CCOCC1c1cccc(F)c1.
What is the InChIKey of [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is SVXZRIKYJAGXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-6-2-5-15(11-16)18-13-25-10-9-22(18)19(24)17-7-8-21-23(17)12-14-3-1-4-14/h2,5-8,11,14,18H,1,3-4,9-10,12-13H2.
What are the key properties of [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone?
[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 136557448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).