trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol

C18H25N7O — CID 146112594

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol (PubChem CID 146112594) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
• PubChem CID: 146112594
• Molecular Formula: C18H25N7O
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.21
• IUPAC Name: trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol
• SMILES: Cn1cc(-c2nn(C)cc2CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cn1
• InChI: InChI=1S/C18H25N7O/c1-23-10-15(8-21-23)18-14(11-24(2)22-18)7-20-16-5-13(6-17(16)26)9-25-4-3-19-12-25/h3-4,8,10-13,16-17,20,26H,5-7,9H2,1-2H3/t13?,16-,17-/m1/s1
• InChIKey: IPYJHGOFFIWPBB-SYFTWWQRSA-N
• XLogP: 0.95
• TPSA: 85.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.45
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol (CID 146112594) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol is Cn1cc(-c2nn(C)cc2CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)cn1.

What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol?

The InChIKey is IPYJHGOFFIWPBB-SYFTWWQRSA-N. The full InChI is InChI=1S/C18H25N7O/c1-23-10-15(8-21-23)18-14(11-24(2)22-18)7-20-16-5-13(6-17(16)26)9-25-4-3-19-12-25/h3-4,8,10-13,16-17,20,26H,5-7,9H2,1-2H3/t13?,16-,17-/m1/s1.

What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol?

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol has a molecular weight of 355.45 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 146112594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).