[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

C19H18FN3O2S — CID 70783078

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)n[nH]2)s1
InChIInChI=1S/C19H18FN3O2S/c1-12-2-7-18(26-12)15-10-16(22-21-15)19(24)23-8-9-25-17(11-23)13-3-5-14(20)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,22)
InChIKeyFVBSMYISKDZZNU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds3

About [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone

[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 70783078) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID70783078
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)n[nH]2)s1
InChIInChI=1S/C19H18FN3O2S/c1-12-2-7-18(26-12)15-10-16(22-21-15)19(24)23-8-9-25-17(11-23)13-3-5-14(20)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,22)
InChIKeyFVBSMYISKDZZNU-UHFFFAOYSA-N
XLogP3.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 70783078) is [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCOC(c4ccc(F)cc4)C3)n[nH]2)s1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is FVBSMYISKDZZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-2-7-18(26-12)15-10-16(22-21-15)19(24)23-8-9-25-17(11-23)13-3-5-14(20)6-4-13/h2-7,10,17H,8-9,11H2,1H3,(H,21,22).
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 70783078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).