(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C19H22FN3O2 — CID 154884029

IUPAC(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)cc1F
InChIInChI=1S/C19H22FN3O2/c1-12-10-21-22(11-12)16-8-14-4-5-15(9-16)23(14)19(24)13-3-6-18(25-2)17(20)7-13/h3,6-7,10-11,14-16H,4-5,8-9H2,1-2H3
InChIKeyOXPLZDQCKWMDGD-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.35
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 154884029) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID154884029
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)cc1F
InChIInChI=1S/C19H22FN3O2/c1-12-10-21-22(11-12)16-8-14-4-5-15(9-16)23(14)19(24)13-3-6-18(25-2)17(20)7-13/h3,6-7,10-11,14-16H,4-5,8-9H2,1-2H3
InChIKeyOXPLZDQCKWMDGD-UHFFFAOYSA-N
XLogP3.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884017
N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121022249
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135
(3-fluoro-4-methoxyphenyl)-[(1R,9S)-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 110196614
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
CID 77401889
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
1-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]pent-4-en-1-one
CID 154831146
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124892538
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
CID 61235332
(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255429

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 154884029) is (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is COc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is OXPLZDQCKWMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-10-21-22(11-12)16-8-14-4-5-15(9-16)23(14)19(24)13-3-6-18(25-2)17(20)7-13/h3,6-7,10-11,14-16H,4-5,8-9H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 154884029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).