(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium

C16H22ClN4OS+ — CID 8787097

IUPAC(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H21ClN4OS/c1-20(10-13-6-7-14(17)23-13)11-16(22)19-15-8-9-18-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,19,22)/p+1
InChIKeyDRLBDRHTAVDJEL-UHFFFAOYSA-O
MW353.90 g/mol
LogP2.37
Rot. Bonds6

About (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium

(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8787097) has the molecular formula C16H22ClN4OS+ and a molecular weight of 353.90 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
PubChem CID8787097
Molecular FormulaC16H22ClN4OS+
Molecular Weight353.90 g/mol
Exact Mass353.12
IUPAC Name(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H21ClN4OS/c1-20(10-13-6-7-14(17)23-13)11-16(22)19-15-8-9-18-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,19,22)/p+1
InChIKeyDRLBDRHTAVDJEL-UHFFFAOYSA-O
XLogP2.37
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 8845555
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683008
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 99180754
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8787229

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium (CID 8787097) is (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is DRLBDRHTAVDJEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21ClN4OS/c1-20(10-13-6-7-14(17)23-13)11-16(22)19-15-8-9-18-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,19,22)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium?
(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 353.90 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8787097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).