3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide

C22H25ClN4O — CID 42759423

IUPAC3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3Cl)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C22H25ClN4O/c1-15-9-10-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-5-6-8-18(17)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeyTXFVQEJRVMHHAC-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.10
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 42759423) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID42759423
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3Cl)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C22H25ClN4O/c1-15-9-10-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-5-6-8-18(17)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeyTXFVQEJRVMHHAC-UHFFFAOYSA-N
XLogP4.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 4527273
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 812295
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
N-butyl-1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4045506
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 3685469
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3925006

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide (CID 42759423) is 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccccc3Cl)cc2C(=O)NCCN(C)C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is TXFVQEJRVMHHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-15-9-10-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-5-6-8-18(17)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,28).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).