4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C17H18F3N7 — CID 135374445

About 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374445) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 135374445
• Molecular Formula: C17H18F3N7
• Molecular Weight: 377.37 g/mol
• Exact Mass: 377.16
• IUPAC Name: 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: Cc1nn(Cc2ccn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
• InChI: InChI=1S/C17H18F3N7/c1-10-14(9-27(24-10)8-12-5-6-26(2)25-12)22-16-21-7-13(17(18,19)20)15(23-16)11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,21,22,23)
• InChIKey: GDRAHFFVFSLAIX-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.37
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374445) is 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn(Cc2ccn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.

What is the InChIKey of 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is GDRAHFFVFSLAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-10-14(9-27(24-10)8-12-5-6-26(2)25-12)22-16-21-7-13(17(18,19)20)15(23-16)11-3-4-11/h5-7,9,11H,3-4,8H2,1-2H3,(H,21,22,23).

What are the key properties of 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).