5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine

C10H10IN3O — CID 141377483

IUPAC5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
SMILESIc1cnn2ccc(OCC3CC3)nc12
InChIInChI=1S/C10H10IN3O/c11-8-5-12-14-4-3-9(13-10(8)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyHKTQMIFDORBPBG-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.12
Rot. Bonds3

About 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine

5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine (PubChem CID 141377483) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
PubChem CID141377483
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
SMILESIc1cnn2ccc(OCC3CC3)nc12
InChIInChI=1S/C10H10IN3O/c11-8-5-12-14-4-3-9(13-10(8)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyHKTQMIFDORBPBG-UHFFFAOYSA-N
XLogP2.12
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 175798682
6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
CID 141473573
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
[6-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291669
[6-(cyclopropylmethoxy)-2-pyridinyl]methanol
CID 62240903
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
3-chloro-6-(cyclopropylmethoxy)pyridine-2-carbonitrile
CID 47002221
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
4-bromo-2-(cyclopropylmethoxy)-1-iodobenzene
CID 147305100

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine (CID 141377483) is 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine is Ic1cnn2ccc(OCC3CC3)nc12.
What is the InChIKey of 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The InChIKey is HKTQMIFDORBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c11-8-5-12-14-4-3-9(13-10(8)14)15-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine has a molecular weight of 315.11 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141377483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).