6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine

C19H18FN7 — CID 134440636

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3cn(-c4ccc(F)cc4)nc3C)ncn2)n1
InChIInChI=1S/C19H18FN7/c1-12-8-13(2)27(24-12)19-9-18(21-11-22-19)23-17-10-26(25-14(17)3)16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H,21,22,23)
InChIKeySWVAQPIZVDXDDJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.66
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine (PubChem CID 134440636) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine
PubChem CID134440636
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3cn(-c4ccc(F)cc4)nc3C)ncn2)n1
InChIInChI=1S/C19H18FN7/c1-12-8-13(2)27(24-12)19-9-18(21-11-22-19)23-17-10-26(25-14(17)3)16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H,21,22,23)
InChIKeySWVAQPIZVDXDDJ-UHFFFAOYSA-N
XLogP3.66
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine (CID 134440636) is 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3cn(-c4ccc(F)cc4)nc3C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is SWVAQPIZVDXDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c1-12-8-13(2)27(24-12)19-9-18(21-11-22-19)23-17-10-26(25-14(17)3)16-6-4-15(20)5-7-16/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 363.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).