N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C25H19N3OS — CID 10341461

IUPACN-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C25H19N3OS/c29-25(26-16-19-10-6-9-18-8-4-5-13-21(18)19)22-17-28(20-11-2-1-3-12-20)27-24(22)23-14-7-15-30-23/h1-15,17H,16H2,(H,26,29)
InChIKeyWITCTBOOGRYMQL-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.68
Rot. Bonds5

About N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 10341461) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID10341461
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC NameN-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C25H19N3OS/c29-25(26-16-19-10-6-9-18-8-4-5-13-21(18)19)22-17-28(20-11-2-1-3-12-20)27-24(22)23-14-7-15-30-23/h1-15,17H,16H2,(H,26,29)
InChIKeyWITCTBOOGRYMQL-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N'-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 27692078
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846248
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24548715

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 10341461) is N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is WITCTBOOGRYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c29-25(26-16-19-10-6-9-18-8-4-5-13-21(18)19)22-17-28(20-11-2-1-3-12-20)27-24(22)23-14-7-15-30-23/h1-15,17H,16H2,(H,26,29).
What are the key properties of N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 10341461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).