1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine

C19H18ClFN6 — CID 154017831

IUPAC1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine
SMILESCc1cc(C)n(C2=CC=NCN2c2nn(C)c(-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C19H18ClFN6/c1-12-10-13(2)27(23-12)16-8-9-22-11-26(16)19-17(20)18(25(3)24-19)14-4-6-15(21)7-5-14/h4-10H,11H2,1-3H3
InChIKeyAANHNNHVYTZPAL-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.04
Rot. Bonds3

About 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine

1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine (PubChem CID 154017831) has the molecular formula C19H18ClFN6 and a molecular weight of 384.85 g/mol. Its IUPAC name is 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine.

Molecular Properties

Compound Name1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine
PubChem CID154017831
Molecular FormulaC19H18ClFN6
Molecular Weight384.85 g/mol
Exact Mass384.13
IUPAC Name1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine
SMILESCc1cc(C)n(C2=CC=NCN2c2nn(C)c(-c3ccc(F)cc3)c2Cl)n1
InChIInChI=1S/C19H18ClFN6/c1-12-10-13(2)27(23-12)16-8-9-22-11-26(16)19-17(20)18(25(3)24-19)14-4-6-15(21)7-5-14/h4-10H,11H2,1-3H3
InChIKeyAANHNNHVYTZPAL-UHFFFAOYSA-N
XLogP4.04
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine?
The IUPAC name of 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine (CID 154017831) is 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine.
What is the SMILES notation for 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine?
The canonical SMILES for 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine is Cc1cc(C)n(C2=CC=NCN2c2nn(C)c(-c3ccc(F)cc3)c2Cl)n1.
What is the InChIKey of 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine?
The InChIKey is AANHNNHVYTZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6/c1-12-10-13(2)27(23-12)16-8-9-22-11-26(16)19-17(20)18(25(3)24-19)14-4-6-15(21)7-5-14/h4-10H,11H2,1-3H3.
What are the key properties of 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine?
1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine has a molecular weight of 384.85 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-6-(3,5-dimethylpyrazol-1-yl)-2H-pyrimidine is sourced from PubChem (CID 154017831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).