5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

C16H20ClN3O4 — CID 24610858

IUPAC5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H20ClN3O4/c1-9-14(15(17)20(2)19-9)16(21)18-8-10-6-12(23-4)13(24-5)7-11(10)22-3/h6-7H,8H2,1-5H3,(H,18,21)
InChIKeyXVYVSEHBZMSFEI-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.34
Rot. Bonds6

About 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 24610858) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID24610858
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H20ClN3O4/c1-9-14(15(17)20(2)19-9)16(21)18-8-10-6-12(23-4)13(24-5)7-11(10)22-3/h6-7H,8H2,1-5H3,(H,18,21)
InChIKeyXVYVSEHBZMSFEI-UHFFFAOYSA-N
XLogP2.34
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 154750113
1-methyl-6-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24548648
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26445004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 24610858) is 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is XVYVSEHBZMSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-9-14(15(17)20(2)19-9)16(21)18-8-10-6-12(23-4)13(24-5)7-11(10)22-3/h6-7H,8H2,1-5H3,(H,18,21).
What are the key properties of 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24610858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).