3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide

C14H12ClN5OS — CID 166581259

IUPAC3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C14H12ClN5OS/c15-12-3-1-10(22-12)2-4-14(21)18-13-7-11(19-20-13)9-5-6-16-17-8-9/h1,3,5-8H,2,4H2,(H2,18,19,20,21)
InChIKeyBEMYPOHIGQWBFB-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.15
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide

3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 166581259) has the molecular formula C14H12ClN5OS and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
PubChem CID166581259
Molecular FormulaC14H12ClN5OS
Molecular Weight333.80 g/mol
Exact Mass333.05
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCc1ccc(Cl)s1)Nc1cc(-c2ccnnc2)[nH]n1
InChIInChI=1S/C14H12ClN5OS/c15-12-3-1-10(22-12)2-4-14(21)18-13-7-11(19-20-13)9-5-6-16-17-8-9/h1,3,5-8H,2,4H2,(H2,18,19,20,21)
InChIKeyBEMYPOHIGQWBFB-UHFFFAOYSA-N
XLogP3.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide 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

3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581481
3-(5-chlorothiophen-2-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 56824715
2-[(4S)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)acetamide
CID 166581235
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
5-[3-[(5-chlorothiophen-2-yl)methylamino]-1H-pyrazol-5-yl]-1H-pyridin-2-one
CID 136953924
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100623068
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide (CID 166581259) is 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide is O=C(CCc1ccc(Cl)s1)Nc1cc(-c2ccnnc2)[nH]n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BEMYPOHIGQWBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5OS/c15-12-3-1-10(22-12)2-4-14(21)18-13-7-11(19-20-13)9-5-6-16-17-8-9/h1,3,5-8H,2,4H2,(H2,18,19,20,21).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 333.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 166581259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).