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

C13H18N4O2S — CID 61113367

IUPAC2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(Cc1cccs1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H18N4O2S/c1-19-5-4-16(9-12-3-2-6-20-12)13(18)10-17-8-11(14)7-15-17/h2-3,6-8H,4-5,9-10,14H2,1H3
InChIKeyAUJUYXGDLCIPPJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.20
Rot. Bonds7

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

2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 61113367) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID61113367
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCN(Cc1cccs1)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H18N4O2S/c1-19-5-4-16(9-12-3-2-6-20-12)13(18)10-17-8-11(14)7-15-17/h2-3,6-8H,4-5,9-10,14H2,1H3
InChIKeyAUJUYXGDLCIPPJ-UHFFFAOYSA-N
XLogP1.20
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61113371
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-(4-aminopyrazol-1-yl)-N,N-dipropylacetamide
CID 43445164
2-amino-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 64823784
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 61113367) is 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is COCCN(Cc1cccs1)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AUJUYXGDLCIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-19-5-4-16(9-12-3-2-6-20-12)13(18)10-17-8-11(14)7-15-17/h2-3,6-8H,4-5,9-10,14H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 61113367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).