[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

C12H15IN4O — CID 164719164

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cnn(CC3CC3)c2)c(I)n1
InChIInChI=1S/C12H15IN4O/c1-16-7-10(12(13)15-16)11(18)9-4-14-17(6-9)5-8-2-3-8/h4,6-8,11,18H,2-3,5H2,1H3
InChIKeyVYYULCXIUAMPSV-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.71
Rot. Bonds4

About [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol

[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 164719164) has the molecular formula C12H15IN4O and a molecular weight of 358.18 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID164719164
Molecular FormulaC12H15IN4O
Molecular Weight358.18 g/mol
Exact Mass358.03
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cnn(CC3CC3)c2)c(I)n1
InChIInChI=1S/C12H15IN4O/c1-16-7-10(12(13)15-16)11(18)9-4-14-17(6-9)5-8-2-3-8/h4,6-8,11,18H,2-3,5H2,1H3
InChIKeyVYYULCXIUAMPSV-UHFFFAOYSA-N
XLogP1.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-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]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 164719164) is [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cnn(CC3CC3)c2)c(I)n1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is VYYULCXIUAMPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O/c1-16-7-10(12(13)15-16)11(18)9-4-14-17(6-9)5-8-2-3-8/h4,6-8,11,18H,2-3,5H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol has a molecular weight of 358.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).