1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide

C17H17Cl2N5O — CID 35530432

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C17H17Cl2N5O/c1-11-16(19)12(2)24(21-11)10-23-8-7-15(22-23)17(25)20-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,25)
InChIKeyZCKVWKFRVCEUNY-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.44
Rot. Bonds5

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide (PubChem CID 35530432) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide
PubChem CID35530432
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C17H17Cl2N5O/c1-11-16(19)12(2)24(21-11)10-23-8-7-15(22-23)17(25)20-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,25)
InChIKeyZCKVWKFRVCEUNY-UHFFFAOYSA-N
XLogP3.44
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19272076
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271951
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-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 19272090
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272041
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19264318
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19272233
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19271947
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-3-carboxamide
CID 35527618
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278422
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
CID 19272108
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide (CID 35530432) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)NCc3ccccc3Cl)n2)c(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZCKVWKFRVCEUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-11-16(19)12(2)24(21-11)10-23-8-7-15(22-23)17(25)20-9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,25).
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35530432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).