N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H19N3O2S — CID 55740372

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-12-14-7-5-13(6-8-14)11-19-18(22)16-10-15(20-21-16)17-4-3-9-24-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeySNEYCHRVDDBFRT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.60
Rot. Bonds7

About N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55740372) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55740372
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2S/c1-2-23-12-14-7-5-13(6-8-14)11-19-18(22)16-10-15(20-21-16)17-4-3-9-24-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeySNEYCHRVDDBFRT-UHFFFAOYSA-N
XLogP3.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55740372) is N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CCOCc1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SNEYCHRVDDBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-12-14-7-5-13(6-8-14)11-19-18(22)16-10-15(20-21-16)17-4-3-9-24-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55740372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).