cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol

C10H15IN2O2 — CID 67004306

IUPACcis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol
SMILESCc1nn(C2C[C@@H](O)[C@@H](O)C2)c(C)c1I
InChIInChI=1S/C10H15IN2O2/c1-5-10(11)6(2)13(12-5)7-3-8(14)9(15)4-7/h7-9,14-15H,3-4H2,1-2H3/t7?,8-,9+
InChIKeyZABKLTMQMISHFM-CBLAIPOGSA-N
MW322.15 g/mol
LogP1.16
Rot. Bonds1

About cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol

cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol (PubChem CID 67004306) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol
PubChem CID67004306
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Namecis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol
SMILESCc1nn(C2C[C@@H](O)[C@@H](O)C2)c(C)c1I
InChIInChI=1S/C10H15IN2O2/c1-5-10(11)6(2)13(12-5)7-3-8(14)9(15)4-7/h7-9,14-15H,3-4H2,1-2H3/t7?,8-,9+
InChIKeyZABKLTMQMISHFM-CBLAIPOGSA-N
XLogP1.16
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol (CID 67004306) is cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol is Cc1nn(C2C[C@@H](O)[C@@H](O)C2)c(C)c1I.
What is the InChIKey of cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol?
The InChIKey is ZABKLTMQMISHFM-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-5-10(11)6(2)13(12-5)7-3-8(14)9(15)4-7/h7-9,14-15H,3-4H2,1-2H3/t7?,8-,9+.
What are the key properties of cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol?
cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol has a molecular weight of 322.15 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 67004306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).