1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea

C18H25N5O — CID 125164383

About 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea

1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 125164383) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
• PubChem CID: 125164383
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
• SMILES: Cc1cccnc1[C@@H](NC(=O)Nc1cc(C(C)C)nn1C)C1CC1
• InChI: InChI=1S/C18H25N5O/c1-11(2)14-10-15(23(4)22-14)20-18(24)21-17(13-7-8-13)16-12(3)6-5-9-19-16/h5-6,9-11,13,17H,7-8H2,1-4H3,(H2,20,21,24)/t17-/m0/s1
• InChIKey: CNOBDEJCPHPWPO-KRWDZBQOSA-N
• XLogP: 3.52
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?

The IUPAC name of 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea (CID 125164383) is 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea.

What is the SMILES notation for 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?

The canonical SMILES for 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea is Cc1cccnc1[C@@H](NC(=O)Nc1cc(C(C)C)nn1C)C1CC1.

What is the InChIKey of 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?

The InChIKey is CNOBDEJCPHPWPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11(2)14-10-15(23(4)22-14)20-18(24)21-17(13-7-8-13)16-12(3)6-5-9-19-16/h5-6,9-11,13,17H,7-8H2,1-4H3,(H2,20,21,24)/t17-/m0/s1.

What are the key properties of 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?

1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 125164383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).