(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

C15H16FN3O3 — CID 124976007

IUPAC(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1F
InChIInChI=1S/C15H16FN3O3/c1-21-14-3-2-10(8-11(14)16)15(20)19-6-7-22-9-13(19)12-4-5-17-18-12/h2-5,8,13H,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyLCFVXWYFWDTEKU-CYBMUJFWSA-N
MW305.31 g/mol
LogP1.77
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 124976007) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID124976007
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1F
InChIInChI=1S/C15H16FN3O3/c1-21-14-3-2-10(8-11(14)16)15(20)19-6-7-22-9-13(19)12-4-5-17-18-12/h2-5,8,13H,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyLCFVXWYFWDTEKU-CYBMUJFWSA-N
XLogP1.77
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-pyridinyl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125008509
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124982330
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124955150
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114705
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124989177

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 124976007) is (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is LCFVXWYFWDTEKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-21-14-3-2-10(8-11(14)16)15(20)19-6-7-22-9-13(19)12-4-5-17-18-12/h2-5,8,13H,6-7,9H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 305.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124976007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).