N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide

C19H19N3OS — CID 44563837

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19N3OS/c23-19(20-18-12-17(21-22-18)15-7-8-15)11-14-5-3-13(4-6-14)10-16-2-1-9-24-16/h1-6,9,12,15H,7-8,10-11H2,(H2,20,21,22,23)
InChIKeyUDRMFMIAECLEDA-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.12
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide (PubChem CID 44563837) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide
PubChem CID44563837
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H19N3OS/c23-19(20-18-12-17(21-22-18)15-7-8-15)11-14-5-3-13(4-6-14)10-16-2-1-9-24-16/h1-6,9,12,15H,7-8,10-11H2,(H2,20,21,22,23)
InChIKeyUDRMFMIAECLEDA-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide (CID 44563837) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide is O=C(Cc1ccc(Cc2cccs2)cc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide?
The InChIKey is UDRMFMIAECLEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(20-18-12-17(21-22-18)15-7-8-15)11-14-5-3-13(4-6-14)10-16-2-1-9-24-16/h1-6,9,12,15H,7-8,10-11H2,(H2,20,21,22,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(thiophen-2-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 44563837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).