(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

C12H13N7OS — CID 125431338

IUPAC(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESCn1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)n1
InChIInChI=1S/C12H13N7OS/c1-18-4-2-11(15-18)14-12(20)6-10(9-3-5-21-7-9)19-8-13-16-17-19/h2-5,7-8,10H,6H2,1H3,(H,14,15,20)/t10-/m1/s1
InChIKeyXWRHAMXBBIXHOG-SNVBAGLBSA-N
MW303.35 g/mol
LogP1.09
Rot. Bonds5

About (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (PubChem CID 125431338) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
PubChem CID125431338
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESCn1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)n1
InChIInChI=1S/C12H13N7OS/c1-18-4-2-11(15-18)14-12(20)6-10(9-3-5-21-7-9)19-8-13-16-17-19/h2-5,7-8,10H,6H2,1H3,(H,14,15,20)/t10-/m1/s1
InChIKeyXWRHAMXBBIXHOG-SNVBAGLBSA-N
XLogP1.09
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (CID 125431338) is (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is Cn1ccc(NC(=O)C[C@H](c2ccsc2)n2cnnn2)n1.
What is the InChIKey of (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is XWRHAMXBBIXHOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-18-4-2-11(15-18)14-12(20)6-10(9-3-5-21-7-9)19-8-13-16-17-19/h2-5,7-8,10H,6H2,1H3,(H,14,15,20)/t10-/m1/s1.
What are the key properties of (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 303.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125431338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).