1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide

C21H26ClN5O3 — CID 19272090

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1OCC
InChIInChI=1S/C21H26ClN5O3/c1-5-29-18-8-7-16(11-19(18)30-6-2)12-23-21(28)17-9-10-26(25-17)13-27-15(4)20(22)14(3)24-27/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)
InChIKeyLIGINIRHRBOAHU-UHFFFAOYSA-N
MW431.92 g/mol
LogP3.58
Rot. Bonds9

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 19272090) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
PubChem CID19272090
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1OCC
InChIInChI=1S/C21H26ClN5O3/c1-5-29-18-8-7-16(11-19(18)30-6-2)12-23-21(28)17-9-10-26(25-17)13-27-15(4)20(22)14(3)24-27/h7-11H,5-6,12-13H2,1-4H3,(H,23,28)
InChIKeyLIGINIRHRBOAHU-UHFFFAOYSA-N
XLogP3.58
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide
CID 35530432
4-[[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19272028
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19271947
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrazole-3-carboxamide
CID 35327288
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19264318
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 19523413
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19272233
2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623434
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
CID 19272108
ethyl 5-acetyl-2-[[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19271996
N-[(3-ethoxy-4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287283

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide (CID 19272090) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide is CCOc1ccc(CNC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)cc1OCC.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is LIGINIRHRBOAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-5-29-18-8-7-16(11-19(18)30-6-2)12-23-21(28)17-9-10-26(25-17)13-27-15(4)20(22)14(3)24-27/h7-11H,5-6,12-13H2,1-4H3,(H,23,28).
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).