N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine

C21H24FN3OS — CID 45240620

IUPACN-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCc1cc(-c2nn(-c3ccccc3F)cc2CN(C)C2CCOC2)c(C)s1
InChIInChI=1S/C21H24FN3OS/c1-14-10-18(15(2)27-14)21-16(11-24(3)17-8-9-26-13-17)12-25(23-21)20-7-5-4-6-19(20)22/h4-7,10,12,17H,8-9,11,13H2,1-3H3
InChIKeyOJEVOHRVDYDNQU-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.58
Rot. Bonds5

About N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine

N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 45240620) has the molecular formula C21H24FN3OS and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine
PubChem CID45240620
Molecular FormulaC21H24FN3OS
Molecular Weight385.51 g/mol
Exact Mass385.16
IUPAC NameN-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCc1cc(-c2nn(-c3ccccc3F)cc2CN(C)C2CCOC2)c(C)s1
InChIInChI=1S/C21H24FN3OS/c1-14-10-18(15(2)27-14)21-16(11-24(3)17-8-9-26-13-17)12-25(23-21)20-7-5-4-6-19(20)22/h4-7,10,12,17H,8-9,11,13H2,1-3H3
InChIKeyOJEVOHRVDYDNQU-UHFFFAOYSA-N
XLogP4.58
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine (CID 45240620) is N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine is Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)C2CCOC2)c(C)s1.
What is the InChIKey of N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is OJEVOHRVDYDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3OS/c1-14-10-18(15(2)27-14)21-16(11-24(3)17-8-9-26-13-17)12-25(23-21)20-7-5-4-6-19(20)22/h4-7,10,12,17H,8-9,11,13H2,1-3H3.
What are the key properties of N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine?
N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 385.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 45240620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).