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

C16H21FN4O — CID 87023429

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)n(C)n1
InChIInChI=1S/C16H21FN4O/c1-11-8-14(21(4)19-11)16(22)18-10-15(20(2)3)12-6-5-7-13(17)9-12/h5-9,15H,10H2,1-4H3,(H,18,22)
InChIKeyFQRWJOJOFVDCDV-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.90
Rot. Bonds5

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

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87023429) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87023429
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)n(C)n1
InChIInChI=1S/C16H21FN4O/c1-11-8-14(21(4)19-11)16(22)18-10-15(20(2)3)12-6-5-7-13(17)9-12/h5-9,15H,10H2,1-4H3,(H,18,22)
InChIKeyFQRWJOJOFVDCDV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34963440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
(E)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43072488
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46522469
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156
(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94068188
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70762626

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 87023429) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)n(C)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FQRWJOJOFVDCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-11-8-14(21(4)19-11)16(22)18-10-15(20(2)3)12-6-5-7-13(17)9-12/h5-9,15H,10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87023429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).