N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide

C22H25FN4O — CID 42755261

IUPACN-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C22H25FN4O/c1-15-5-6-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-9-18(23)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeyMJHZJXFMCDKPPV-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 42755261) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID42755261
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C22H25FN4O/c1-15-5-6-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-9-18(23)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChIKeyMJHZJXFMCDKPPV-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 42759423
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3661640
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide (CID 42755261) is N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is MJHZJXFMCDKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15-5-6-16(2)20(13-15)27-21(22(28)24-11-12-26(3)4)14-19(25-27)17-7-9-18(23)10-8-17/h5-10,13-14H,11-12H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).