5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

C20H21FN4OS — CID 51647857

IUPAC5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS/c21-15-7-5-14(6-8-15)19-16(12-23-24-19)20(26)22-13-17(18-4-3-11-27-18)25-9-1-2-10-25/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyAOQQYFRHPOROJW-KRWDZBQOSA-N
MW384.48 g/mol
LogP3.84
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 51647857) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
PubChem CID51647857
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS/c21-15-7-5-14(6-8-15)19-16(12-23-24-19)20(26)22-13-17(18-4-3-11-27-18)25-9-1-2-10-25/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyAOQQYFRHPOROJW-KRWDZBQOSA-N
XLogP3.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 24640449
2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
1-[(4-fluorophenyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 51291099
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813973

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide (CID 51647857) is 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AOQQYFRHPOROJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-15-7-5-14(6-8-15)19-16(12-23-24-19)20(26)22-13-17(18-4-3-11-27-18)25-9-1-2-10-25/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,26)(H,23,24)/t17-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 51647857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).