2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol

C9H14ClN3O — CID 165487212

IUPAC2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESNC1CC(Cn2cc(Cl)cn2)CC1O
InChIInChI=1S/C9H14ClN3O/c10-7-3-12-13(5-7)4-6-1-8(11)9(14)2-6/h3,5-6,8-9,14H,1-2,4,11H2
InChIKeyIKPAYOSDSTXFOH-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol

2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 165487212) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID165487212
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESNC1CC(Cn2cc(Cl)cn2)CC1O
InChIInChI=1S/C9H14ClN3O/c10-7-3-12-13(5-7)4-6-1-8(11)9(14)2-6/h3,5-6,8-9,14H,1-2,4,11H2
InChIKeyIKPAYOSDSTXFOH-UHFFFAOYSA-N
XLogP0.63
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3-amino-4-hydroxycyclopentyl)methyl]pyrazole-4-carboxylate
CID 165487204
2-amino-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 165486797
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
CID 146113984
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 146110129
cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 167767992
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
CID 146110070
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)cyclopentan-1-ol
CID 146153884
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide
CID 167818537
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-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol
CID 167973648
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopentan-1-ol
CID 154801140
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
CID 166285886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol (CID 165487212) is 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol is NC1CC(Cn2cc(Cl)cn2)CC1O.
What is the InChIKey of 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is IKPAYOSDSTXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-7-3-12-13(5-7)4-6-1-8(11)9(14)2-6/h3,5-6,8-9,14H,1-2,4,11H2.
What are the key properties of 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol?
2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 165487212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).