2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C11H14N4OS — CID 43527847

IUPAC2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H14N4OS/c1-14(5-9-2-3-17-8-9)11(16)7-15-6-10(12)4-13-15/h2-4,6,8H,5,7,12H2,1H3
InChIKeyNBTAHLPKRQRZEE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 43527847) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID43527847
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H14N4OS/c1-14(5-9-2-3-17-8-9)11(16)7-15-6-10(12)4-13-15/h2-4,6,8H,5,7,12H2,1H3
InChIKeyNBTAHLPKRQRZEE-UHFFFAOYSA-N
XLogP1.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499696
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-methyl-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53603259
N-methyl-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53609375
N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53627298
2,2-dimethyl-N-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71991697
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118745524
6-Methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 118746195
6-Acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118746321

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 43527847) is 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is NBTAHLPKRQRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-14(5-9-2-3-17-8-9)11(16)7-15-6-10(12)4-13-15/h2-4,6,8H,5,7,12H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 250.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 43527847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).