5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C10H13ClN4O — CID 134794405

IUPAC5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C10H13ClN4O/c1-16-6-2-4-12-10-7-8(11)14-9-3-5-13-15(9)10/h3,5,7,12H,2,4,6H2,1H3
InChIKeyHKXHPTRREAYOGQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.83
Rot. Bonds5

About 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 134794405) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID134794405
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCCNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C10H13ClN4O/c1-16-6-2-4-12-10-7-8(11)14-9-3-5-13-15(9)10/h3,5,7,12H,2,4,6H2,1H3
InChIKeyHKXHPTRREAYOGQ-UHFFFAOYSA-N
XLogP1.83
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971312
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
2,2-Dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol
CID 49795432
5-Chloro-7-morpholin-4-yl-pyrazolo[1,5-a]pyrimidine
CID 58531071
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4)-2-propenyl-, hydrochloride, hydrate (2:2:1)
CID 3054734
5-Chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
CID 23539610
5-Chloropyrazolo(1,5-a)pyrimidin-2-amine
CID 84653263
5-Chloro-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366058
5-Chloro-6-methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366059
5-Chloro-N-decylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366064
(2S)-2-[(5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylbutan-1-ol
CID 172435737

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 134794405) is 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCCNc1cc(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HKXHPTRREAYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-16-6-2-4-12-10-7-8(11)14-9-3-5-13-15(9)10/h3,5,7,12H,2,4,6H2,1H3.
What are the key properties of 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 240.69 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 134794405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).