diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium

C22H27N4O+ — CID 9074333

IUPACdiethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H26N4O/c1-3-25(4-2)16-19-11-9-8-10-18(19)14-23-22(27)20-15-24-26(17-20)21-12-6-5-7-13-21/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,23,27)/p+1
InChIKeyNVYDKGRLBLMCNM-UHFFFAOYSA-O
MW363.49 g/mol
LogP2.23
Rot. Bonds8

About diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium

diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium (PubChem CID 9074333) has the molecular formula C22H27N4O+ and a molecular weight of 363.49 g/mol. Its IUPAC name is diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
PubChem CID9074333
Molecular FormulaC22H27N4O+
Molecular Weight363.49 g/mol
Exact Mass363.22
IUPAC Namediethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H26N4O/c1-3-25(4-2)16-19-11-9-8-10-18(19)14-23-22(27)20-15-24-26(17-20)21-12-6-5-7-13-21/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,23,27)/p+1
InChIKeyNVYDKGRLBLMCNM-UHFFFAOYSA-O
XLogP2.23
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 78890736
2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219117
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium (CID 9074333) is diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium?
The InChIKey is NVYDKGRLBLMCNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O/c1-3-25(4-2)16-19-11-9-8-10-18(19)14-23-22(27)20-15-24-26(17-20)21-12-6-5-7-13-21/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,23,27)/p+1.
What are the key properties of diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium?
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium has a molecular weight of 363.49 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9074333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).