4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine

C12H15N3S2 — CID 53193275

IUPAC4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine
SMILESc1csc(-c2cc(CN3CCSCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3S2/c1-2-12(17-5-1)11-8-10(13-14-11)9-15-3-6-16-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,13,14)
InChIKeyCJQXPGOQIFEDRE-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.69
Rot. Bonds3

About 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine

4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine (PubChem CID 53193275) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine
PubChem CID53193275
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine
SMILESc1csc(-c2cc(CN3CCSCC3)[nH]n2)c1
InChIInChI=1S/C12H15N3S2/c1-2-12(17-5-1)11-8-10(13-14-11)9-15-3-6-16-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,13,14)
InChIKeyCJQXPGOQIFEDRE-UHFFFAOYSA-N
XLogP2.69
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine 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

5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 612732
3-Methyl-5-(2-thienyl)-1h-pyrazole
CID 737750
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
4-[5-(2-thienyl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)benzyl]piperidine
CID 7075534
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 176376104
5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
CID 2739854
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516791
N,N-dimethyl-1-[6-[(5-methylthiophen-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97516793
N-methyl-1-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}methanamine
CID 56894182
N,N,N'-trimethyl-N'-[[3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]ethane-1,2-diamine
CID 279932

Frequently Asked Questions

What is the IUPAC name of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine (CID 53193275) is 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine is c1csc(-c2cc(CN3CCSCC3)[nH]n2)c1.
What is the InChIKey of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine?
The InChIKey is CJQXPGOQIFEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-12(17-5-1)11-8-10(13-14-11)9-15-3-6-16-7-4-15/h1-2,5,8H,3-4,6-7,9H2,(H,13,14).
What are the key properties of 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine?
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine has a molecular weight of 265.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine is sourced from PubChem (CID 53193275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).