N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H19N5OS — CID 56822421

IUPACN-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)Nc1cc(-c2ccsc2)[nH]n1
InChIInChI=1S/C16H19N5OS/c1-9(15-10(2)20-21(4)11(15)3)16(22)17-14-7-13(18-19-14)12-5-6-23-8-12/h5-9H,1-4H3,(H2,17,18,19,22)
InChIKeyDNGMIIQMNNWSPH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.23
Rot. Bonds4

About N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 56822421) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID56822421
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C(C)C(=O)Nc1cc(-c2ccsc2)[nH]n1
InChIInChI=1S/C16H19N5OS/c1-9(15-10(2)20-21(4)11(15)3)16(22)17-14-7-13(18-19-14)12-5-6-23-8-12/h5-9H,1-4H3,(H2,17,18,19,22)
InChIKeyDNGMIIQMNNWSPH-UHFFFAOYSA-N
XLogP3.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 56822421) is N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C(C)C(=O)Nc1cc(-c2ccsc2)[nH]n1.
What is the InChIKey of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DNGMIIQMNNWSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9(15-10(2)20-21(4)11(15)3)16(22)17-14-7-13(18-19-14)12-5-6-23-8-12/h5-9H,1-4H3,(H2,17,18,19,22).
What are the key properties of N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1H-pyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56822421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).