[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

C18H18N4O3S — CID 46425848

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)N(C)Cc2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C18H18N4O3S/c1-13-15(10-20-22(13)16-7-3-4-8-19-16)18(24)25-12-17(23)21(2)11-14-6-5-9-26-14/h3-10H,11-12H2,1-2H3
InChIKeyHKGKAFQFFRMDCF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.45
Rot. Bonds6

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 46425848) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID46425848
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)N(C)Cc2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C18H18N4O3S/c1-13-15(10-20-22(13)16-7-3-4-8-19-16)18(24)25-12-17(23)21(2)11-14-6-5-9-26-14/h3-10H,11-12H2,1-2H3
InChIKeyHKGKAFQFFRMDCF-UHFFFAOYSA-N
XLogP2.45
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629523
(2-oxo-2-phenothiazin-10-ylethyl) 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46425726
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
[2-(4-chloroanilino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641337
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641236
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404837
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31730192
(5-methoxycarbonyl-4-methylfuran-2-yl)methyl 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46481076
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 30650726

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 46425848) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1c(C(=O)OCC(=O)N(C)Cc2cccs2)cnn1-c1ccccn1.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is HKGKAFQFFRMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-15(10-20-22(13)16-7-3-4-8-19-16)18(24)25-12-17(23)21(2)11-14-6-5-9-26-14/h3-10H,11-12H2,1-2H3.
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 46425848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).