5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide

C19H18FN3O2S — CID 95274554

IUPAC5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H18FN3O2S/c20-15-4-2-1-3-14(15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m1/s1
InChIKeyFUSHBJBSDWKXIO-CYBMUJFWSA-N
MW371.44 g/mol
LogP4.04
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide

5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 95274554) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID95274554
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H18FN3O2S/c20-15-4-2-1-3-14(15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m1/s1
InChIKeyFUSHBJBSDWKXIO-CYBMUJFWSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 95274554) is 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is FUSHBJBSDWKXIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-4-2-1-3-14(15)16-5-6-17(26-16)19(24)22-18-7-9-21-23(18)11-13-8-10-25-12-13/h1-7,9,13H,8,10-12H2,(H,22,24)/t13-/m1/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95274554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).