2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine

C15H14FN5O2S — CID 91337023

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2ccn(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C15H14FN5O2S/c1-24(22,23)13-8-18-15(19-14(13)17)12-6-7-21(20-12)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyJVJOPUGSKGFWOV-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine (PubChem CID 91337023) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
PubChem CID91337023
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(-c2ccn(Cc3ccccc3F)n2)nc1N
InChIInChI=1S/C15H14FN5O2S/c1-24(22,23)13-8-18-15(19-14(13)17)12-6-7-21(20-12)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyJVJOPUGSKGFWOV-UHFFFAOYSA-N
XLogP1.51
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
CID 90722088
4-(4,5-dihydro-1H-imidazol-2-yl)-5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidine
CID 91149613
5-cyclopropyl-N-(ethoxymethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrimidin-4-amine
CID 90991851
4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 141427956
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969658
N-benzyl-5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42210415
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
N-[4-amino-2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidin-5-yl]-N,2,2-trimethylpropanamide
CID 126491297
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine (CID 91337023) is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1cnc(-c2ccn(Cc3ccccc3F)n2)nc1N.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine?
The InChIKey is JVJOPUGSKGFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-24(22,23)13-8-18-15(19-14(13)17)12-6-7-21(20-12)9-10-4-2-3-5-11(10)16/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine has a molecular weight of 347.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 91337023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).