N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide

C21H24N4O — CID 134036419

IUPACN-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-3-24(4-2)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)16-25-15-5-14-22-25/h5-15H,3-4,16H2,1-2H3,(H,23,26)
InChIKeyRZRRPPQLBMBJDN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.03
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 134036419) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID134036419
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C21H24N4O/c1-3-24(4-2)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)16-25-15-5-14-22-25/h5-15H,3-4,16H2,1-2H3,(H,23,26)
InChIKeyRZRRPPQLBMBJDN-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55501140
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045
3-(diethylsulfamoyl)-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812362
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[4-(1,3-oxazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 78890208
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-(2-methyl-1,3-benzoxazol-6-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86921797

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 134036419) is N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RZRRPPQLBMBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-24(4-2)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)16-25-15-5-14-22-25/h5-15H,3-4,16H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 348.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 134036419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).