[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

C16H23N4OS+ — CID 9437888

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-19(10-13-7-9-22-12-13)11-16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,18,21)/p+1
InChIKeyGAGKXBLHGCENQK-UHFFFAOYSA-O
MW319.45 g/mol
LogP1.71
Rot. Bonds6

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (PubChem CID 9437888) has the molecular formula C16H23N4OS+ and a molecular weight of 319.45 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
PubChem CID9437888
Molecular FormulaC16H23N4OS+
Molecular Weight319.45 g/mol
Exact Mass319.16
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-19(10-13-7-9-22-12-13)11-16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,18,21)/p+1
InChIKeyGAGKXBLHGCENQK-UHFFFAOYSA-O
XLogP1.71
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156032
N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
CID 38995415
N-(2-cyclopentylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 40105193
1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N-(2-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45843185
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide
CID 71929567
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 25983632
N-(2-cyclopentylpyrazol-3-yl)-2-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]acetamide
CID 53627010
N-(2-cyclohexylpyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9516643
3-[3-(Thiophen-3-ylmethylamino)pyrazol-1-yl]propanamide
CID 71848000
1-(2-Cyclopentylpyrazol-3-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 72110432

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium (CID 9437888) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is C[NH+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccsc1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
The InChIKey is GAGKXBLHGCENQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4OS/c1-19(10-13-7-9-22-12-13)11-16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,18,21)/p+1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium has a molecular weight of 319.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 9437888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).