N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C25H25N3OS — CID 2811259

IUPACN-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccccc1
InChIInChI=1S/C25H25N3OS/c1-2-10-24-23(17-26-28(24)21-13-7-4-8-14-21)25(29)27(19-22-15-9-16-30-22)18-20-11-5-3-6-12-20/h3-9,11-17H,2,10,18-19H2,1H3
InChIKeyKLNLRLBHXCSFLK-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.73
Rot. Bonds8

About N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 2811259) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID2811259
Molecular FormulaC25H25N3OS
Molecular Weight415.56 g/mol
Exact Mass415.17
IUPAC NameN-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccccc1
InChIInChI=1S/C25H25N3OS/c1-2-10-24-23(17-26-28(24)21-13-7-4-8-14-21)25(29)27(19-22-15-9-16-30-22)18-20-11-5-3-6-12-20/h3-9,11-17H,2,10,18-19H2,1H3
InChIKeyKLNLRLBHXCSFLK-UHFFFAOYSA-N
XLogP5.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 2811259) is N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is CCCc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KLNLRLBHXCSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-2-10-24-23(17-26-28(24)21-13-7-4-8-14-21)25(29)27(19-22-15-9-16-30-22)18-20-11-5-3-6-12-20/h3-9,11-17H,2,10,18-19H2,1H3.
What are the key properties of N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-5-propyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2811259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).