[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol

C11H14IN5O — CID 166560080

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
SMILESCn1nc(I)c(C(O)c2cnn(CC3CC3)c2)n1
InChIInChI=1S/C11H14IN5O/c1-16-14-9(11(12)15-16)10(18)8-4-13-17(6-8)5-7-2-3-7/h4,6-7,10,18H,2-3,5H2,1H3
InChIKeyALBQHZBGSIJKDH-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.11
Rot. Bonds4

About [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol

[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol (PubChem CID 166560080) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
PubChem CID166560080
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
SMILESCn1nc(I)c(C(O)c2cnn(CC3CC3)c2)n1
InChIInChI=1S/C11H14IN5O/c1-16-14-9(11(12)15-16)10(18)8-4-13-17(6-8)5-7-2-3-7/h4,6-7,10,18H,2-3,5H2,1H3
InChIKeyALBQHZBGSIJKDH-UHFFFAOYSA-N
XLogP1.11
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol (CID 166560080) is [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol is Cn1nc(I)c(C(O)c2cnn(CC3CC3)c2)n1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol?
The InChIKey is ALBQHZBGSIJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5O/c1-16-14-9(11(12)15-16)10(18)8-4-13-17(6-8)5-7-2-3-7/h4,6-7,10,18H,2-3,5H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol?
[1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol has a molecular weight of 359.17 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol is sourced from PubChem (CID 166560080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).