2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol

C10H11ClIN3O — CID 155895434

IUPAC2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol
SMILESCc1nn2c(Cl)cc(C(C)CO)nc2c1I
InChIInChI=1S/C10H11ClIN3O/c1-5(4-16)7-3-8(11)15-10(13-7)9(12)6(2)14-15/h3,5,16H,4H2,1-2H3
InChIKeyPPHDVGRTPBVCDU-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.39
Rot. Bonds2

About 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol

2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol (PubChem CID 155895434) has the molecular formula C10H11ClIN3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol
PubChem CID155895434
Molecular FormulaC10H11ClIN3O
Molecular Weight351.58 g/mol
Exact Mass350.96
IUPAC Name2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol
SMILESCc1nn2c(Cl)cc(C(C)CO)nc2c1I
InChIInChI=1S/C10H11ClIN3O/c1-5(4-16)7-3-8(11)15-10(13-7)9(12)6(2)14-15/h3,5,16H,4H2,1-2H3
InChIKeyPPHDVGRTPBVCDU-UHFFFAOYSA-N
XLogP2.39
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol?
The IUPAC name of 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol (CID 155895434) is 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol is Cc1nn2c(Cl)cc(C(C)CO)nc2c1I.
What is the InChIKey of 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol?
The InChIKey is PPHDVGRTPBVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN3O/c1-5(4-16)7-3-8(11)15-10(13-7)9(12)6(2)14-15/h3,5,16H,4H2,1-2H3.
What are the key properties of 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol?
2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol has a molecular weight of 351.58 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-iodo-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 155895434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).