1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide

C20H21FN4O2S — CID 55650784

IUPAC1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H21FN4O2S/c21-15-4-1-2-5-17(15)25-8-7-16(23-25)20(26)22-14-18(19-6-3-13-28-19)24-9-11-27-12-10-24/h1-8,13,18H,9-12,14H2,(H,22,26)
InChIKeyUXEZKXPSIPEARE-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 55650784) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
PubChem CID55650784
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C20H21FN4O2S/c21-15-4-1-2-5-17(15)25-8-7-16(23-25)20(26)22-14-18(19-6-3-13-28-19)24-9-11-27-12-10-24/h1-8,13,18H,9-12,14H2,(H,22,26)
InChIKeyUXEZKXPSIPEARE-UHFFFAOYSA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 39951277
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(tetrazol-1-yl)benzamide
CID 51931032
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
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5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
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CID 30835113
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 18589172
4-(2-fluorophenyl)-N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111148159
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173415
2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide (CID 55650784) is 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is UXEZKXPSIPEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c21-15-4-1-2-5-17(15)25-8-7-16(23-25)20(26)22-14-18(19-6-3-13-28-19)24-9-11-27-12-10-24/h1-8,13,18H,9-12,14H2,(H,22,26).
What are the key properties of 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55650784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).