N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide

C20H23FN4OS — CID 55836301

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccc(-c3ccccc3F)s2)cn1
InChIInChI=1S/C20H23FN4OS/c1-3-24(4-2)11-12-25-14-15(13-22-25)23-20(26)19-10-9-18(27-19)16-7-5-6-8-17(16)21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26)
InChIKeyWFLPNWATXBSLIG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.34
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 55836301) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID55836301
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccc(-c3ccccc3F)s2)cn1
InChIInChI=1S/C20H23FN4OS/c1-3-24(4-2)11-12-25-14-15(13-22-25)23-20(26)19-10-9-18(27-19)16-7-5-6-8-17(16)21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26)
InChIKeyWFLPNWATXBSLIG-UHFFFAOYSA-N
XLogP4.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide (CID 55836301) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide is CCN(CC)CCn1cc(NC(=O)c2ccc(-c3ccccc3F)s2)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is WFLPNWATXBSLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-3-24(4-2)11-12-25-14-15(13-22-25)23-20(26)19-10-9-18(27-19)16-7-5-6-8-17(16)21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55836301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).