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

C19H27FN4O — CID 70762626

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)n(C)n1
InChIInChI=1S/C19H27FN4O/c1-13(2)10-16-11-17(24(5)22-16)19(25)21-12-18(23(3)4)14-6-8-15(20)9-7-14/h6-9,11,13,18H,10,12H2,1-5H3,(H,21,25)
InChIKeyBMXKTXLIILRERF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.79
Rot. Bonds7

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

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70762626) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70762626
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)n(C)n1
InChIInChI=1S/C19H27FN4O/c1-13(2)10-16-11-17(24(5)22-16)19(25)21-12-18(23(3)4)14-6-8-15(20)9-7-14/h6-9,11,13,18H,10,12H2,1-5H3,(H,21,25)
InChIKeyBMXKTXLIILRERF-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74236464
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978
6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 48679016

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70762626) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC(c2ccc(F)cc2)N(C)C)n(C)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is BMXKTXLIILRERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-13(2)10-16-11-17(24(5)22-16)19(25)21-12-18(23(3)4)14-6-8-15(20)9-7-14/h6-9,11,13,18H,10,12H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70762626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).