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

C23H24FN7 — CID 134439995

IUPACN-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(C2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C23H24FN7/c1-4-19-22(16-5-7-17(24)8-6-16)29-31(18-9-10-18)23(19)27-20-12-21(26-13-25-20)30-15(3)11-14(2)28-30/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,26,27)
InChIKeyAILBHMLUDHPJOH-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.92
Rot. Bonds6

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

N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134439995) has the molecular formula C23H24FN7 and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID134439995
Molecular FormulaC23H24FN7
Molecular Weight417.49 g/mol
Exact Mass417.21
IUPAC NameN-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(C2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C23H24FN7/c1-4-19-22(16-5-7-17(24)8-6-16)29-31(18-9-10-18)23(19)27-20-12-21(26-13-25-20)30-15(3)11-14(2)28-30/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,26,27)
InChIKeyAILBHMLUDHPJOH-UHFFFAOYSA-N
XLogP4.92
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 134439995) is N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is CCc1c(-c2ccc(F)cc2)nn(C2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is AILBHMLUDHPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7/c1-4-19-22(16-5-7-17(24)8-6-16)29-31(18-9-10-18)23(19)27-20-12-21(26-13-25-20)30-15(3)11-14(2)28-30/h5-8,11-13,18H,4,9-10H2,1-3H3,(H,25,26,27).
What are the key properties of N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 417.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134439995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).