N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

C21H23N3O — CID 4862170

IUPACN,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-4-23(5-2)21(25)18-11-13-19(14-12-18)24-20(15-16(3)22-24)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3
InChIKeyBILRWUIYDJUVPB-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.33
Rot. Bonds5

About N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (PubChem CID 4862170) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
PubChem CID4862170
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O/c1-4-23(5-2)21(25)18-11-13-19(14-12-18)24-20(15-16(3)22-24)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3
InChIKeyBILRWUIYDJUVPB-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (CID 4862170) is N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is CCN(CC)C(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The InChIKey is BILRWUIYDJUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-23(5-2)21(25)18-11-13-19(14-12-18)24-20(15-16(3)22-24)17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide has a molecular weight of 333.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4862170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).