N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide

C18H23FN4O2 — CID 71981132

IUPACN-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C18H23FN4O2/c1-18(2,3)17(25)21-14-9-20-23(11-14)12-16(24)22(4)10-13-7-5-6-8-15(13)19/h5-9,11H,10,12H2,1-4H3,(H,21,25)
InChIKeyOOBOHVDPRRLMIS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.67
Rot. Bonds5

About N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide

N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 71981132) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID71981132
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C18H23FN4O2/c1-18(2,3)17(25)21-14-9-20-23(11-14)12-16(24)22(4)10-13-7-5-6-8-15(13)19/h5-9,11H,10,12H2,1-4H3,(H,21,25)
InChIKeyOOBOHVDPRRLMIS-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide (CID 71981132) is N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide is CN(Cc1ccccc1F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is OOBOHVDPRRLMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-18(2,3)17(25)21-14-9-20-23(11-14)12-16(24)22(4)10-13-7-5-6-8-15(13)19/h5-9,11H,10,12H2,1-4H3,(H,21,25).
What are the key properties of N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 346.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71981132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).