N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

C9H8F3N5 — CID 141271822

IUPACN-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H8F3N5/c1-5-2-7(17-16-5)15-8-6(9(10,11)12)3-13-4-14-8/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyDLJDZNCWGAUINK-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.27
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141271822) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141271822
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncncc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H8F3N5/c1-5-2-7(17-16-5)15-8-6(9(10,11)12)3-13-4-14-8/h2-4H,1H3,(H2,13,14,15,16,17)
InChIKeyDLJDZNCWGAUINK-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 141271822) is N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is Cc1cc(Nc2ncncc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DLJDZNCWGAUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-5-2-7(17-16-5)15-8-6(9(10,11)12)3-13-4-14-8/h2-4H,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 243.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141271822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).