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

C16H21FN4O — CID 42818135

IUPACN-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C16H21FN4O/c1-11-15(16(22)18-8-9-20(3)4)12(2)21(19-11)14-7-5-6-13(17)10-14/h5-7,10H,8-9H2,1-4H3,(H,18,22)
InChIKeyYSEFLOPYJPPDPI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 42818135) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID42818135
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCCN(C)C
InChIInChI=1S/C16H21FN4O/c1-11-15(16(22)18-8-9-20(3)4)12(2)21(19-11)14-7-5-6-13(17)10-14/h5-7,10H,8-9H2,1-4H3,(H,18,22)
InChIKeyYSEFLOPYJPPDPI-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818134
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55717023
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 112792818
1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 42818135) is N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2cccc(F)c2)c(C)c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is YSEFLOPYJPPDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-11-15(16(22)18-8-9-20(3)4)12(2)21(19-11)14-7-5-6-13(17)10-14/h5-7,10H,8-9H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.92, 5 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-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42818135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).