4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide

C16H20ClFN4O — CID 47076856

IUPAC4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C16H20ClFN4O/c1-3-21(4-2)7-8-22-11-13(10-19-22)20-16(23)14-6-5-12(17)9-15(14)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyYAVMDJVJYMPTDP-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.27
Rot. Bonds7

About 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide

4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide (PubChem CID 47076856) has the molecular formula C16H20ClFN4O and a molecular weight of 338.81 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
PubChem CID47076856
Molecular FormulaC16H20ClFN4O
Molecular Weight338.81 g/mol
Exact Mass338.13
IUPAC Name4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
SMILESCCN(CC)CCn1cc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C16H20ClFN4O/c1-3-21(4-2)7-8-22-11-13(10-19-22)20-16(23)14-6-5-12(17)9-15(14)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyYAVMDJVJYMPTDP-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 47926718
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
CID 47927297
6-chloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167754395
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 47927121
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55835401
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide (CID 47076856) is 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide is CCN(CC)CCn1cc(NC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide?
The InChIKey is YAVMDJVJYMPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN4O/c1-3-21(4-2)7-8-22-11-13(10-19-22)20-16(23)14-6-5-12(17)9-15(14)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide?
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide has a molecular weight of 338.81 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 47076856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).