N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H14FN5OS — CID 122262928

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H14FN5OS/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(26)17-9-16(24-25-17)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,26)(H,24,25)
InChIKeyRJDVGUFNJNEBGB-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.66
Rot. Bonds5

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 122262928) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID122262928
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H14FN5OS/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(26)17-9-16(24-25-17)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,26)(H,24,25)
InChIKeyRJDVGUFNJNEBGB-UHFFFAOYSA-N
XLogP3.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122263036
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 122262928) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RJDVGUFNJNEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c20-13-5-3-12(4-6-13)15-8-14(22-11-23-15)10-21-19(26)17-9-16(24-25-17)18-2-1-7-27-18/h1-9,11H,10H2,(H,21,26)(H,24,25).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 122262928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).