1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide

C23H26ClN3O2 — CID 55596234

IUPAC1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccccc2COC(C)C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H26ClN3O2/c1-4-22-21(14-26-27(22)20-11-7-10-19(24)12-20)23(28)25-13-17-8-5-6-9-18(17)15-29-16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H,25,28)
InChIKeyMXLCMIFTUZSDFS-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.94
Rot. Bonds8

About 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55596234) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55596234
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccccc2COC(C)C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H26ClN3O2/c1-4-22-21(14-26-27(22)20-11-7-10-19(24)12-20)23(28)25-13-17-8-5-6-9-18(17)15-29-16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H,25,28)
InChIKeyMXLCMIFTUZSDFS-UHFFFAOYSA-N
XLogP4.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55609248
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55596234) is 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccccc2COC(C)C)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is MXLCMIFTUZSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-4-22-21(14-26-27(22)20-11-7-10-19(24)12-20)23(28)25-13-17-8-5-6-9-18(17)15-29-16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55596234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).