N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide

C23H28N4O2 — CID 119440303

IUPACN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C
InChIInChI=1S/C23H28N4O2/c1-4-24-14-18-10-8-9-13-20(18)25-23(28)22-21(29-16-17(2)3)15-27(26-22)19-11-6-5-7-12-19/h5-13,15,17,24H,4,14,16H2,1-3H3,(H,25,28)
InChIKeyICLFTOFKMCZKNH-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (PubChem CID 119440303) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
PubChem CID119440303
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C
InChIInChI=1S/C23H28N4O2/c1-4-24-14-18-10-8-9-13-20(18)25-23(28)22-21(29-16-17(2)3)15-27(26-22)19-11-6-5-7-12-19/h5-13,15,17,24H,4,14,16H2,1-3H3,(H,25,28)
InChIKeyICLFTOFKMCZKNH-UHFFFAOYSA-N
XLogP4.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[4-(2-methylpropoxy)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119647294
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119571155
4-(2-methylpropoxy)-N-(2-oxo-1-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 166317144
2-[4-[[[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120699002
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119453024
4-(2-methylpropoxy)-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 71932265
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119438563
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
CID 119604031
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119439493
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (CID 119440303) is N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is CCNCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The InChIKey is ICLFTOFKMCZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-24-14-18-10-8-9-13-20(18)25-23(28)22-21(29-16-17(2)3)15-27(26-22)19-11-6-5-7-12-19/h5-13,15,17,24H,4,14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119440303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).