5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide

C19H20FN3OS — CID 46104472

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccccc2F)cc1-c1cc(C)sc1C
InChIInChI=1S/C19H20FN3OS/c1-4-23-18(15-9-12(2)25-13(15)3)10-17(22-23)19(24)21-11-14-7-5-6-8-16(14)20/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyAVRMHOCLBDNSMK-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.32
Rot. Bonds5

About 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide

5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 46104472) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID46104472
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccccc2F)cc1-c1cc(C)sc1C
InChIInChI=1S/C19H20FN3OS/c1-4-23-18(15-9-12(2)25-13(15)3)10-17(22-23)19(24)21-11-14-7-5-6-8-16(14)20/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyAVRMHOCLBDNSMK-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide (CID 46104472) is 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccccc2F)cc1-c1cc(C)sc1C.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is AVRMHOCLBDNSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-4-23-18(15-9-12(2)25-13(15)3)10-17(22-23)19(24)21-11-14-7-5-6-8-16(14)20/h5-10H,4,11H2,1-3H3,(H,21,24).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide?
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).