N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide

C19H15BrN4O — CID 2473217

IUPACN-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccccc2)n1
InChIInChI=1S/C19H15BrN4O/c20-16-9-4-5-10-17(16)22-19(25)15-13-24(12-6-11-21)23-18(15)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2,(H,22,25)
InChIKeyDNXJZOYLFHFSLG-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.48
Rot. Bonds5

About N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide

N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 2473217) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
PubChem CID2473217
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC NameN-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccccc2)n1
InChIInChI=1S/C19H15BrN4O/c20-16-9-4-5-10-17(16)22-19(25)15-13-24(12-6-11-21)23-18(15)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2,(H,22,25)
InChIKeyDNXJZOYLFHFSLG-UHFFFAOYSA-N
XLogP4.48
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide (CID 2473217) is N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide is N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccccc2)n1.
What is the InChIKey of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is DNXJZOYLFHFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c20-16-9-4-5-10-17(16)22-19(25)15-13-24(12-6-11-21)23-18(15)14-7-2-1-3-8-14/h1-5,7-10,13H,6,12H2,(H,22,25).
What are the key properties of N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2473217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).