trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol

C17H19Cl2N5O2 — CID 167827392

IUPACtrans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1cn[nH]c1-c1ccc(Cl)o1
InChIInChI=1S/C17H19Cl2N5O2/c18-12-7-22-24(9-12)8-10-3-13(14(25)4-10)20-5-11-6-21-23-17(11)15-1-2-16(19)26-15/h1-2,6-7,9-10,13-14,20,25H,3-5,8H2,(H,21,23)/t10?,13-,14-/m1/s1
InChIKeyHMZKWHHQPINAKV-WDEVSDKISA-N
MW396.28 g/mol
LogP3.10
Rot. Bonds6

About trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol

trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 167827392) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID167827392
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Nametrans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESO[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1cn[nH]c1-c1ccc(Cl)o1
InChIInChI=1S/C17H19Cl2N5O2/c18-12-7-22-24(9-12)8-10-3-13(14(25)4-10)20-5-11-6-21-23-17(11)15-1-2-16(19)26-15/h1-2,6-7,9-10,13-14,20,25H,3-5,8H2,(H,21,23)/t10?,13-,14-/m1/s1
InChIKeyHMZKWHHQPINAKV-WDEVSDKISA-N
XLogP3.10
TPSA91.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol with MolForge

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Related Compounds

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
trans-(1R,2R)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285880
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
CID 166285886
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-methylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclopentan-1-ol
CID 167922124
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 146110129
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 146110134
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclopentan-1-ol
CID 154801945
3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 167961119
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 167814853
2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide
CID 166286188
2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
CID 165487212
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
CID 146113984

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol (CID 167827392) is trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol is O[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1NCc1cn[nH]c1-c1ccc(Cl)o1.
What is the InChIKey of trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is HMZKWHHQPINAKV-WDEVSDKISA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c18-12-7-22-24(9-12)8-10-3-13(14(25)4-10)20-5-11-6-21-23-17(11)15-1-2-16(19)26-15/h1-2,6-7,9-10,13-14,20,25H,3-5,8H2,(H,21,23)/t10?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 396.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 167827392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).