2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

C20H24ClN5O2 — CID 19478743

IUPAC2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H24ClN5O2/c1-5-25-15(3)18(14(2)23-25)12-24(4)20(27)19-10-11-22-26(19)13-28-17-8-6-16(21)7-9-17/h6-11H,5,12-13H2,1-4H3
InChIKeyPHRXOZMVVMSIIY-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.68
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19478743) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19478743
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H24ClN5O2/c1-5-25-15(3)18(14(2)23-25)12-24(4)20(27)19-10-11-22-26(19)13-28-17-8-6-16(21)7-9-17/h6-11H,5,12-13H2,1-4H3
InChIKeyPHRXOZMVVMSIIY-UHFFFAOYSA-N
XLogP3.68
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478737
2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478746
2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478740
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 4776582
3-[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19490092
5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19453926
2-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478731
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19575158
1-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278841
4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443806
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19478743) is 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is PHRXOZMVVMSIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-5-25-15(3)18(14(2)23-25)12-24(4)20(27)19-10-11-22-26(19)13-28-17-8-6-16(21)7-9-17/h6-11H,5,12-13H2,1-4H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19478743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).