(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C24H24FN5 — CID 42462698

IUPAC(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCc1cccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H24FN5/c1-17-6-4-9-22(12-17)30-15-20(24(28-30)19-7-5-8-21(25)13-19)14-29(3)18(2)23-10-11-26-16-27-23/h4-13,15-16,18H,14H2,1-3H3/t18-/m1/s1
InChIKeyGAZSZYRSNSFEFV-GOSISDBHSA-N
MW401.49 g/mol
LogP4.97
Rot. Bonds6

About (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 42462698) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID42462698
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCc1cccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C24H24FN5/c1-17-6-4-9-22(12-17)30-15-20(24(28-30)19-7-5-8-21(25)13-19)14-29(3)18(2)23-10-11-26-16-27-23/h4-13,15-16,18H,14H2,1-3H3/t18-/m1/s1
InChIKeyGAZSZYRSNSFEFV-GOSISDBHSA-N
XLogP4.97
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 42462698) is (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is Cc1cccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is GAZSZYRSNSFEFV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24FN5/c1-17-6-4-9-22(12-17)30-15-20(24(28-30)19-7-5-8-21(25)13-19)14-29(3)18(2)23-10-11-26-16-27-23/h4-13,15-16,18H,14H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 401.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 42462698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).