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

C19H18FN3O2S — CID 39120169

IUPAC[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCO[C@@H](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)/t17-/m1/s1
InChIKeyFVBSMYISKDZZNU-QGZVFWFLSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds3

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

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 39120169) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID39120169
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCO[C@@H](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)/t17-/m1/s1
InChIKeyFVBSMYISKDZZNU-QGZVFWFLSA-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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Related Compounds

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CID 46942696
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CID 49795782
[3-(2-Fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 28809867
N-(2-(4-fluorophenoxy)ethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45504220
3-(4-fluoro-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790078
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49791400
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CID 71792992
benzhydryl (6R,7R)-3-(5-methoxycarbonyl-1H-pyrazol-3-yl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 90677844
N-(1-(3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl)piperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 49665561
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CID 49665585
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CID 99983761
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 39120169) is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)n[nH]2)s1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is FVBSMYISKDZZNU-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
[(2S)-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 [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 39120169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).