[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone

C15H17N7OS — CID 166313269

IUPAC[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)c3sccc3-c3nn[nH]n3)C2)cn1
InChIInChI=1S/C15H17N7OS/c1-21-8-11(7-16-21)6-10-2-4-22(9-10)15(23)13-12(3-5-24-13)14-17-19-20-18-14/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,17,18,19,20)
InChIKeyMSCUEBBTEDVYGB-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.37
Rot. Bonds4

About [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone

[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone (PubChem CID 166313269) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone
PubChem CID166313269
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)c3sccc3-c3nn[nH]n3)C2)cn1
InChIInChI=1S/C15H17N7OS/c1-21-8-11(7-16-21)6-10-2-4-22(9-10)15(23)13-12(3-5-24-13)14-17-19-20-18-14/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,17,18,19,20)
InChIKeyMSCUEBBTEDVYGB-UHFFFAOYSA-N
XLogP1.37
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone?
The IUPAC name of [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone (CID 166313269) is [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone?
The canonical SMILES for [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone is Cn1cc(CC2CCN(C(=O)c3sccc3-c3nn[nH]n3)C2)cn1.
What is the InChIKey of [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone?
The InChIKey is MSCUEBBTEDVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-21-8-11(7-16-21)6-10-2-4-22(9-10)15(23)13-12(3-5-24-13)14-17-19-20-18-14/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,17,18,19,20).
What are the key properties of [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone?
[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone has a molecular weight of 343.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[3-(2H-tetrazol-5-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 166313269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).