cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide

C19H20N4OS — CID 92583684

IUPACcis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1
InChIInChI=1S/C19H20N4OS/c1-13-11-14(13)19(24)21-8-9-23-18(17-6-4-10-25-17)15(12-22-23)16-5-2-3-7-20-16/h2-7,10,12-14H,8-9,11H2,1H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyLBHUDUUXXDYOHS-KGLIPLIRSA-N
MW352.46 g/mol
LogP3.45
Rot. Bonds6

About cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 92583684) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID92583684
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Namecis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1
InChIInChI=1S/C19H20N4OS/c1-13-11-14(13)19(24)21-8-9-23-18(17-6-4-10-25-17)15(12-22-23)16-5-2-3-7-20-16/h2-7,10,12-14H,8-9,11H2,1H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyLBHUDUUXXDYOHS-KGLIPLIRSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide 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-pyridin-2-yl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92577365
4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92597233
N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596463
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 110238846
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92584526
2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92551502
2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572524
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92595562
trans-(1S,2S)-2-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]cyclopropane-1-carboxamide
CID 92565325
2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92571410
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 110238841

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide (CID 92583684) is cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LBHUDUUXXDYOHS-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-11-14(13)19(24)21-8-9-23-18(17-6-4-10-25-17)15(12-22-23)16-5-2-3-7-20-16/h2-7,10,12-14H,8-9,11H2,1H3,(H,21,24)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92583684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).