3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C18H19Cl2N5O — CID 19515515

IUPAC3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C
InChIInChI=1S/C18H19Cl2N5O/c1-4-25-11(2)12(9-21-25)10-24(3)18(26)17-8-16(22-23-17)14-6-5-13(19)7-15(14)20/h5-9H,4,10H2,1-3H3,(H,22,23)
InChIKeyLBVTWEMFQLOYGV-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.18
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515515) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515515
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C
InChIInChI=1S/C18H19Cl2N5O/c1-4-25-11(2)12(9-21-25)10-24(3)18(26)17-8-16(22-23-17)14-6-5-13(19)7-15(14)20/h5-9H,4,10H2,1-3H3,(H,22,23)
InChIKeyLBVTWEMFQLOYGV-UHFFFAOYSA-N
XLogP4.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
3-(2,4-dichlorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515521
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
6-chloro-2-(2,3-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinazoline-4-carboxamide
CID 164767163
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515423
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510190
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 19515515) is 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is LBVTWEMFQLOYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-4-25-11(2)12(9-21-25)10-24(3)18(26)17-8-16(22-23-17)14-6-5-13(19)7-15(14)20/h5-9H,4,10H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).