N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide

C18H23N3OS — CID 42879190

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2cccs2)cc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C18H23N3OS/c1-2-7-21-16(11-15(20-21)17-4-3-8-23-17)18(22)19-14-10-12-5-6-13(14)9-12/h3-4,8,11-14H,2,5-7,9-10H2,1H3,(H,19,22)
InChIKeyDSPJEKFLYRZBNU-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.94
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42879190) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42879190
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCn1nc(-c2cccs2)cc1C(=O)NC1CC2CCC1C2
InChIInChI=1S/C18H23N3OS/c1-2-7-21-16(11-15(20-21)17-4-3-8-23-17)18(22)19-14-10-12-5-6-13(14)9-12/h3-4,8,11-14H,2,5-7,9-10H2,1H3,(H,19,22)
InChIKeyDSPJEKFLYRZBNU-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42879190) is N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCCn1nc(-c2cccs2)cc1C(=O)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is DSPJEKFLYRZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-7-21-16(11-15(20-21)17-4-3-8-23-17)18(22)19-14-10-12-5-6-13(14)9-12/h3-4,8,11-14H,2,5-7,9-10H2,1H3,(H,19,22).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-propyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42879190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).