3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine

C19H20FN5 — CID 69286299

About 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine

3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine (PubChem CID 69286299) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine
• PubChem CID: 69286299
• Molecular Formula: C19H20FN5
• Molecular Weight: 337.40 g/mol
• Exact Mass: 337.17
• IUPAC Name: 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine
• SMILES: C[C@H](Nc1nccc(N)c1-c1cc(C2CC2)[nH]n1)c1ccc(F)cc1
• InChI: InChI=1S/C19H20FN5/c1-11(12-4-6-14(20)7-5-12)23-19-18(15(21)8-9-22-19)17-10-16(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,24,25)(H3,21,22,23)/t11-/m0/s1
• InChIKey: FXEOXYZQEKAONJ-NSHDSACASA-N
• XLogP: 4.24
• TPSA: 79.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.40
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine?

The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine (CID 69286299) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine.

What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine?

The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine is C[C@H](Nc1nccc(N)c1-c1cc(C2CC2)[nH]n1)c1ccc(F)cc1.

What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine?

The InChIKey is FXEOXYZQEKAONJ-NSHDSACASA-N. The full InChI is InChI=1S/C19H20FN5/c1-11(12-4-6-14(20)7-5-12)23-19-18(15(21)8-9-22-19)17-10-16(24-25-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,24,25)(H3,21,22,23)/t11-/m0/s1.

What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine?

3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine has a molecular weight of 337.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 69286299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).