(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane

C8H8N3O3P-2 — CID 22618018

IUPAC(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane
SMILESCc1cc(CP(=O)([O-])[O-])n2nccc2n1
InChIInChI=1S/C8H10N3O3P/c1-6-4-7(5-15(12,13)14)11-8(10-6)2-3-9-11/h2-4H,5H2,1H3,(H2,12,13,14)/p-2
InChIKeyGAKXSEUNHKKISF-UHFFFAOYSA-L
MW225.14 g/mol
LogP-0.55
Rot. Bonds2

About (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane

(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane (PubChem CID 22618018) has the molecular formula C8H8N3O3P-2 and a molecular weight of 225.14 g/mol. Its IUPAC name is (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane
PubChem CID22618018
Molecular FormulaC8H8N3O3P-2
Molecular Weight225.14 g/mol
Exact Mass225.03
IUPAC Name(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane
SMILESCc1cc(CP(=O)([O-])[O-])n2nccc2n1
InChIInChI=1S/C8H10N3O3P/c1-6-4-7(5-15(12,13)14)11-8(10-6)2-3-9-11/h2-4H,5H2,1H3,(H2,12,13,14)/p-2
InChIKeyGAKXSEUNHKKISF-UHFFFAOYSA-L
XLogP-0.55
TPSA93.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethyl-dioxido-oxo-λ5-phosphane
CID 22617997
(5-hexylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethyl-dioxido-oxo-λ5-phosphane
CID 22617987
formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142599993
5-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909765
4-methoxy-N-[2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 56888706
ethyl 2-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 59427822
3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 56883087
5-methyl-7-(2,3,4,9-tetrahydro-1H-fluoren-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 158502447
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 82506740
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
[(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-ethylsulfanylmethyl]-dioxido-oxo-λ5-phosphane
CID 22618037
7-chloro-5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidine
CID 170418200

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane (CID 22618018) is (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane is Cc1cc(CP(=O)([O-])[O-])n2nccc2n1.
What is the InChIKey of (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane?
The InChIKey is GAKXSEUNHKKISF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10N3O3P/c1-6-4-7(5-15(12,13)14)11-8(10-6)2-3-9-11/h2-4H,5H2,1H3,(H2,12,13,14)/p-2.
What are the key properties of (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane?
(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane has a molecular weight of 225.14 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 22618018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).