N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H33N5O4Si — CID 66664775

IUPACN-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H33N5O4Si/c1-24(2,3)34(5,6)33-14-8-12-26-22(30)17-9-10-19(20(15-17)32-4)28-23(31)18-16-27-29-13-7-11-25-21(18)29/h7,9-11,13,15-16H,8,12,14H2,1-6H3,(H,26,30)(H,28,31)
InChIKeyJVUWQUKFHMRWNA-UHFFFAOYSA-N
MW483.65 g/mol
LogP4.13
Rot. Bonds9

About N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66664775) has the molecular formula C24H33N5O4Si and a molecular weight of 483.65 g/mol. Its IUPAC name is N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66664775
Molecular FormulaC24H33N5O4Si
Molecular Weight483.65 g/mol
Exact Mass483.23
IUPAC NameN-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCO[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C24H33N5O4Si/c1-24(2,3)34(5,6)33-14-8-12-26-22(30)17-9-10-19(20(15-17)32-4)28-23(31)18-16-27-29-13-7-11-25-21(18)29/h7,9-11,13,15-16H,8,12,14H2,1-6H3,(H,26,30)(H,28,31)
InChIKeyJVUWQUKFHMRWNA-UHFFFAOYSA-N
XLogP4.13
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 54.13
H-Bond Donors ≤ 52
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

N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
N-(5-methoxy-2-methyl-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056166
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
CID 130350382
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
N-[5-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497038
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
N-[5-(5-chloro-2-methoxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131983030
N-[3-(4-fluoro-2-methoxyphenyl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497528

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66664775) is N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(C(=O)NCCCO[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JVUWQUKFHMRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4Si/c1-24(2,3)34(5,6)33-14-8-12-26-22(30)17-9-10-19(20(15-17)32-4)28-23(31)18-16-27-29-13-7-11-25-21(18)29/h7,9-11,13,15-16H,8,12,14H2,1-6H3,(H,26,30)(H,28,31).
What are the key properties of N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.65 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylcarbamoyl]-2-methoxyphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66664775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).