N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

C16H22N4OS — CID 9437889

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(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)
InChIKeyGAGKXBLHGCENQK-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.13
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (PubChem CID 9437889) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
PubChem CID9437889
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
SMILESCN(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)
InChIKeyGAGKXBLHGCENQK-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 111496830
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CID 51224525
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665106
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 95042358
2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683009
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 71993648
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539454
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-(1-adamantyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054385
N-(2-cyclopentylpyrazol-3-yl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110881459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide (CID 9437889) is N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccsc1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
The InChIKey is GAGKXBLHGCENQK-UHFFFAOYSA-N. 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).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide has a molecular weight of 318.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 9437889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).