1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine

C19H20FN3S — CID 16673458

IUPAC1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESFc1ccccc1C1(NCc2cn[nH]c2-c2cccs2)CCCC1
InChIInChI=1S/C19H20FN3S/c20-16-7-2-1-6-15(16)19(9-3-4-10-19)21-12-14-13-22-23-18(14)17-8-5-11-24-17/h1-2,5-8,11,13,21H,3-4,9-10,12H2,(H,22,23)
InChIKeyGPHQPIGVEFSXQP-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.84
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine

1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 16673458) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID16673458
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESFc1ccccc1C1(NCc2cn[nH]c2-c2cccs2)CCCC1
InChIInChI=1S/C19H20FN3S/c20-16-7-2-1-6-15(16)19(9-3-4-10-19)21-12-14-13-22-23-18(14)17-8-5-11-24-17/h1-2,5-8,11,13,21H,3-4,9-10,12H2,(H,22,23)
InChIKeyGPHQPIGVEFSXQP-UHFFFAOYSA-N
XLogP4.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
Propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 44316823
(4,5,6,7-Tetrahydro-2H-indazol-5-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 14539722
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
7-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decane
CID 56748547
1-[(3-Fluorophenyl)methyl]-4-phenyl-3-thiophen-2-ylpyrazole
CID 177651802
Sdccgsbi-0115213.P001
CID 28731916
(E)-N-(1,2-diphenylethyl)-3-(5-thiophen-2-yl-1H-pyrazol-4-yl)prop-2-enamide
CID 19973545
2-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 6625276
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(2-thienyl)acetamide
CID 53148484
N-{[5-(2-thienyl)-1H-pyrazol-4-yl]methyl}-3-azaspiro[5.5]undecan-9-amine
CID 56716415

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine (CID 16673458) is 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine is Fc1ccccc1C1(NCc2cn[nH]c2-c2cccs2)CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is GPHQPIGVEFSXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c20-16-7-2-1-6-15(16)19(9-3-4-10-19)21-12-14-13-22-23-18(14)17-8-5-11-24-17/h1-2,5-8,11,13,21H,3-4,9-10,12H2,(H,22,23).
What are the key properties of 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine?
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 16673458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).