N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide

C19H21FN6O — CID 126780920

IUPACN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide
SMILESCN(C)C(CNC(=O)c1ccc(-c2cncnc2)cc1F)c1cnn(C)c1
InChIInChI=1S/C19H21FN6O/c1-25(2)18(15-9-24-26(3)11-15)10-23-19(27)16-5-4-13(6-17(16)20)14-7-21-12-22-8-14/h4-9,11-12,18H,10H2,1-3H3,(H,23,27)
InChIKeyQBFVGDMDWOSEPV-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide

N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide (PubChem CID 126780920) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide
PubChem CID126780920
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide
SMILESCN(C)C(CNC(=O)c1ccc(-c2cncnc2)cc1F)c1cnn(C)c1
InChIInChI=1S/C19H21FN6O/c1-25(2)18(15-9-24-26(3)11-15)10-23-19(27)16-5-4-13(6-17(16)20)14-7-21-12-22-8-14/h4-9,11-12,18H,10H2,1-3H3,(H,23,27)
InChIKeyQBFVGDMDWOSEPV-UHFFFAOYSA-N
XLogP2.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
CID 86968752
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
CID 95980506
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111794999
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
CID 56792355
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538964
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
1-benzyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790134

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide (CID 126780920) is N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide is CN(C)C(CNC(=O)c1ccc(-c2cncnc2)cc1F)c1cnn(C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide?
The InChIKey is QBFVGDMDWOSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-25(2)18(15-9-24-26(3)11-15)10-23-19(27)16-5-4-13(6-17(16)20)14-7-21-12-22-8-14/h4-9,11-12,18H,10H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide?
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide has a molecular weight of 368.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 126780920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).