N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H24ClN3O2 — CID 109468532

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)c2ccc(Cl)cc2)cnn1CC(C)C
InChIInChI=1S/C18H24ClN3O2/c1-4-16-15(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-5-7-14(19)8-6-13/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyDZEOYJWNVJMOBA-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 109468532) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID109468532
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)c2ccc(Cl)cc2)cnn1CC(C)C
InChIInChI=1S/C18H24ClN3O2/c1-4-16-15(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-5-7-14(19)8-6-13/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24)
InChIKeyDZEOYJWNVJMOBA-UHFFFAOYSA-N
XLogP3.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109477074
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-butan-2-yl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,2-oxazole-5-carboxamide
CID 111477071
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
2-[4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109668
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 109468532) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC(O)c2ccc(Cl)cc2)cnn1CC(C)C.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is DZEOYJWNVJMOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-4-16-15(9-21-22(16)11-12(2)3)18(24)20-10-17(23)13-5-7-14(19)8-6-13/h5-9,12,17,23H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 109468532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).