N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide

C19H29N5OS+2 — CID 8834685

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H27N5OS/c25-19(21-18-7-8-20-24(18)16-4-1-2-5-16)15-23-11-9-22(10-12-23)14-17-6-3-13-26-17/h3,6-8,13,16H,1-2,4-5,9-12,14-15H2,(H,21,25)/p+2
InChIKeyWYKBLEDFRJUYKV-UHFFFAOYSA-P
MW375.54 g/mol
LogP-0.02
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (PubChem CID 8834685) has the molecular formula C19H29N5OS+2 and a molecular weight of 375.54 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
PubChem CID8834685
Molecular FormulaC19H29N5OS+2
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
SMILESO=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C19H27N5OS/c25-19(21-18-7-8-20-24(18)16-4-1-2-5-16)15-23-11-9-22(10-12-23)14-17-6-3-13-26-17/h3,6-8,13,16H,1-2,4-5,9-12,14-15H2,(H,21,25)/p+2
InChIKeyWYKBLEDFRJUYKV-UHFFFAOYSA-P
XLogP-0.02
TPSA55.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45831716
2-pyrazol-1-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51075753
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
CID 53499394
2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 56778184
1-[(3-Methylthiophen-2-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
CID 56793042
N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 71875354
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 71934228
N1-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 135954063
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 25983632
N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]thiophene-2-carboxamide
CID 30184065

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide (CID 8834685) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is O=C(C[NH+]1CC[NH+](Cc2cccs2)CC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is WYKBLEDFRJUYKV-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H27N5OS/c25-19(21-18-7-8-20-24(18)16-4-1-2-5-16)15-23-11-9-22(10-12-23)14-17-6-3-13-26-17/h3,6-8,13,16H,1-2,4-5,9-12,14-15H2,(H,21,25)/p+2.
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 375.54 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 8834685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).