trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol

C17H24ClN5O2 — CID 167866202

IUPACtrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol
SMILESCn1nc(CN[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)c2c1CCOC2
InChIInChI=1S/C17H24ClN5O2/c1-22-16-2-3-25-10-13(16)15(21-22)7-19-14-4-11(5-17(14)24)8-23-9-12(18)6-20-23/h6,9,11,14,17,19,24H,2-5,7-8,10H2,1H3/t11?,14-,17-/m1/s1
InChIKeyUXZRWKVULXXPNH-GFADCJBXSA-N
MW365.87 g/mol
LogP1.27
Rot. Bonds5

About trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol

trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol (PubChem CID 167866202) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol
PubChem CID167866202
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Nametrans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol
SMILESCn1nc(CN[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)c2c1CCOC2
InChIInChI=1S/C17H24ClN5O2/c1-22-16-2-3-25-10-13(16)15(21-22)7-19-14-4-11(5-17(14)24)8-23-9-12(18)6-20-23/h6,9,11,14,17,19,24H,2-5,7-8,10H2,1H3/t11?,14-,17-/m1/s1
InChIKeyUXZRWKVULXXPNH-GFADCJBXSA-N
XLogP1.27
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol (CID 167866202) is trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol is Cn1nc(CN[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)c2c1CCOC2.
What is the InChIKey of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol?
The InChIKey is UXZRWKVULXXPNH-GFADCJBXSA-N. The full InChI is InChI=1S/C17H24ClN5O2/c1-22-16-2-3-25-10-13(16)15(21-22)7-19-14-4-11(5-17(14)24)8-23-9-12(18)6-20-23/h6,9,11,14,17,19,24H,2-5,7-8,10H2,1H3/t11?,14-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol?
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol has a molecular weight of 365.87 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methylamino]cyclopentan-1-ol is sourced from PubChem (CID 167866202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).