2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C20H29N5O2Si — CID 123526859

IUPAC2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1c(C2CC2)c(C)nc2c(-c3cnn(COCC[Si](C)(C)C)c3)cnn12
InChIInChI=1S/C20H29N5O2Si/c1-14-18(15-6-7-15)20(26-2)25-19(23-14)17(11-22-25)16-10-21-24(12-16)13-27-8-9-28(3,4)5/h10-12,15H,6-9,13H2,1-5H3
InChIKeyWVMVPWHLISKNNU-UHFFFAOYSA-N
MW399.57 g/mol
LogP4.10
Rot. Bonds8

About 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123526859) has the molecular formula C20H29N5O2Si and a molecular weight of 399.57 g/mol. Its IUPAC name is 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID123526859
Molecular FormulaC20H29N5O2Si
Molecular Weight399.57 g/mol
Exact Mass399.21
IUPAC Name2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1c(C2CC2)c(C)nc2c(-c3cnn(COCC[Si](C)(C)C)c3)cnn12
InChIInChI=1S/C20H29N5O2Si/c1-14-18(15-6-7-15)20(26-2)25-19(23-14)17(11-22-25)16-10-21-24(12-16)13-27-8-9-28(3,4)5/h10-12,15H,6-9,13H2,1-5H3
InChIKeyWVMVPWHLISKNNU-UHFFFAOYSA-N
XLogP4.10
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810687
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174064420
trans-(1R,2R)-2-[[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]amino]cyclopentan-1-ol
CID 175146402
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid
CID 66739857
3-bromo-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172990853
tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-cyclopropyl-3-[6-[4-fluoro-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 89287420

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 123526859) is 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is COc1c(C2CC2)c(C)nc2c(-c3cnn(COCC[Si](C)(C)C)c3)cnn12.
What is the InChIKey of 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WVMVPWHLISKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2Si/c1-14-18(15-6-7-15)20(26-2)25-19(23-14)17(11-22-25)16-10-21-24(12-16)13-27-8-9-28(3,4)5/h10-12,15H,6-9,13H2,1-5H3.
What are the key properties of 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 399.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-cyclopropyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123526859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).