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

C11H14IN5O — CID 164719579

IUPAC[1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nn2)c(I)n1
InChIInChI=1S/C11H14IN5O/c1-16-5-8(11(12)14-16)10(18)9-6-17(15-13-9)4-7-2-3-7/h5-7,10,18H,2-4H2,1H3
InChIKeyPNOAQYYMWUKTSF-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.11
Rot. Bonds4

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

[1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (PubChem CID 164719579) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
PubChem CID164719579
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC Name[1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cn(CC3CC3)nn2)c(I)n1
InChIInChI=1S/C11H14IN5O/c1-16-5-8(11(12)14-16)10(18)9-6-17(15-13-9)4-7-2-3-7/h5-7,10,18H,2-4H2,1H3
InChIKeyPNOAQYYMWUKTSF-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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol (CID 164719579) is [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cn(CC3CC3)nn2)c(I)n1.
What is the InChIKey of [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
The InChIKey is PNOAQYYMWUKTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5O/c1-16-5-8(11(12)14-16)10(18)9-6-17(15-13-9)4-7-2-3-7/h5-7,10,18H,2-4H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol?
[1-(cyclopropylmethyl)triazol-4-yl]-(3-iodo-1-methylpyrazol-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)triazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).