N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

C14H17N3OS — CID 91629645

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H17N3OS/c18-14(8-12-4-3-7-19-12)15-9-11-10-16-17-6-2-1-5-13(11)17/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,18)
InChIKeyDEXUGXYMQCCTMV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.14
Rot. Bonds4

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 91629645) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID91629645
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H17N3OS/c18-14(8-12-4-3-7-19-12)15-9-11-10-16-17-6-2-1-5-13(11)17/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,18)
InChIKeyDEXUGXYMQCCTMV-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
US10889564, Example 19
CID 129127252
2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5307450
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 29650123
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 37394453
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43435410
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
1-(thiophen-2-yl)-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}cyclopentane-1-carboxamide
CID 71808035
2-(4-fluorophenyl)-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71808114
2,6-difluoro-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808119
N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)thiophene-2-carboxamide
CID 72718561

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide (CID 91629645) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cnn2c1CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is DEXUGXYMQCCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(8-12-4-3-7-19-12)15-9-11-10-16-17-6-2-1-5-13(11)17/h3-4,7,10H,1-2,5-6,8-9H2,(H,15,18).
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91629645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).