4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine

C15H18FN3OS — CID 26391533

IUPAC4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCSCC2)c(F)c1
InChIInChI=1S/C15H18FN3OS/c1-20-12-2-3-13(14(16)8-12)15-11(9-17-18-15)10-19-4-6-21-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)
InChIKeyMBMAJGLKCQJBRD-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.77
Rot. Bonds4

About 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine

4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine (PubChem CID 26391533) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine
PubChem CID26391533
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCSCC2)c(F)c1
InChIInChI=1S/C15H18FN3OS/c1-20-12-2-3-13(14(16)8-12)15-11(9-17-18-15)10-19-4-6-21-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18)
InChIKeyMBMAJGLKCQJBRD-UHFFFAOYSA-N
XLogP2.77
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
4-{[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl}thiomorpholine
CID 16190578
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-methyl-N'-[[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671035
N'-methyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671045
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342334
3,4-bis(4-methoxyphenyl)-1H-pyrazole
CID 3835198

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine (CID 26391533) is 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine is COc1ccc(-c2[nH]ncc2CN2CCSCC2)c(F)c1.
What is the InChIKey of 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine?
The InChIKey is MBMAJGLKCQJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-20-12-2-3-13(14(16)8-12)15-11(9-17-18-15)10-19-4-6-21-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,17,18).
What are the key properties of 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine?
4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine has a molecular weight of 307.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine is sourced from PubChem (CID 26391533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).