N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide

C23H20FN5O — CID 118560359

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide
SMILESCc1cncnc1-c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H20FN5O/c1-16-13-25-15-26-23(16)19-6-2-17(3-7-19)12-22(30)27-21-10-11-29(28-21)14-18-4-8-20(24)9-5-18/h2-11,13,15H,12,14H2,1H3,(H,27,28,30)
InChIKeyLQCWAFINOKJWHM-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.02
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide (PubChem CID 118560359) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide
PubChem CID118560359
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide
SMILESCc1cncnc1-c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H20FN5O/c1-16-13-25-15-26-23(16)19-6-2-17(3-7-19)12-22(30)27-21-10-11-29(28-21)14-18-4-8-20(24)9-5-18/h2-11,13,15H,12,14H2,1H3,(H,27,28,30)
InChIKeyLQCWAFINOKJWHM-UHFFFAOYSA-N
XLogP4.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 118560230
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560794
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560586
N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 135315811
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide (CID 118560359) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide is Cc1cncnc1-c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide?
The InChIKey is LQCWAFINOKJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-16-13-25-15-26-23(16)19-6-2-17(3-7-19)12-22(30)27-21-10-11-29(28-21)14-18-4-8-20(24)9-5-18/h2-11,13,15H,12,14H2,1H3,(H,27,28,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide has a molecular weight of 401.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 118560359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).