3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C19H19FN4O — CID 35590668

IUPAC3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H19FN4O/c1-23(2)17-8-5-7-14(10-17)19(25)22-16-11-21-24(13-16)12-15-6-3-4-9-18(15)20/h3-11,13H,12H2,1-2H3,(H,22,25)
InChIKeyBBCRLDHAWMZMNR-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.39
Rot. Bonds5

About 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 35590668) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID35590668
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H19FN4O/c1-23(2)17-8-5-7-14(10-17)19(25)22-16-11-21-24(13-16)12-15-6-3-4-9-18(15)20/h3-11,13H,12H2,1-2H3,(H,22,25)
InChIKeyBBCRLDHAWMZMNR-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271737
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399942
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399948
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 35590668) is 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is CN(C)c1cccc(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is BBCRLDHAWMZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-23(2)17-8-5-7-14(10-17)19(25)22-16-11-21-24(13-16)12-15-6-3-4-9-18(15)20/h3-11,13H,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 35590668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).