4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C17H22ClFN4O — CID 167807265

IUPAC4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H22ClFN4O/c1-12-15(18)16(22(4)20-12)17(24)23(10-9-21(2)3)11-13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3
InChIKeyZQXZVXQESYCKDS-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.73
Rot. Bonds6

About 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 167807265) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID167807265
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H22ClFN4O/c1-12-15(18)16(22(4)20-12)17(24)23(10-9-21(2)3)11-13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3
InChIKeyZQXZVXQESYCKDS-UHFFFAOYSA-N
XLogP2.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 167807265) is 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is ZQXZVXQESYCKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN4O/c1-12-15(18)16(22(4)20-12)17(24)23(10-9-21(2)3)11-13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3.
What are the key properties of 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 167807265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).