5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide

C21H27N5O2 — CID 178179224

IUPAC5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)c(C(C)C)c3n2)cc1C(=O)N(C)CCCO
InChIInChI=1S/C21H27N5O2/c1-13(2)18-19(22)24-26-10-8-17(23-20(18)26)15-7-6-14(3)16(12-15)21(28)25(4)9-5-11-27/h6-8,10,12-13,27H,5,9,11H2,1-4H3,(H2,22,24)
InChIKeyNDRAOEDEQUSJTE-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.86
Rot. Bonds6

About 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide (PubChem CID 178179224) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
PubChem CID178179224
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)c(C(C)C)c3n2)cc1C(=O)N(C)CCCO
InChIInChI=1S/C21H27N5O2/c1-13(2)18-19(22)24-26-10-8-17(23-20(18)26)15-7-6-14(3)16(12-15)21(28)25(4)9-5-11-27/h6-8,10,12-13,27H,5,9,11H2,1-4H3,(H2,22,24)
InChIKeyNDRAOEDEQUSJTE-UHFFFAOYSA-N
XLogP2.86
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide with MolForge

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Related Compounds

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 178179248
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-[5-[(2S)-1-hydroxybutan-2-yl]-2-methyl-7-[[3-(1-methylimidazol-2-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
CID 168736416
5-[5-(1-hydroxybutan-2-yl)-2-methyl-7-[[3-(1-methylimidazol-2-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-N-(3-hydroxypropyl)-N,2-dimethylbenzamide
CID 139330174
N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylbenzamide
CID 68604615
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide (CID 178179224) is 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide is Cc1ccc(-c2ccn3nc(N)c(C(C)C)c3n2)cc1C(=O)N(C)CCCO.
What is the InChIKey of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide?
The InChIKey is NDRAOEDEQUSJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)18-19(22)24-26-10-8-17(23-20(18)26)15-7-6-14(3)16(12-15)21(28)25(4)9-5-11-27/h6-8,10,12-13,27H,5,9,11H2,1-4H3,(H2,22,24).
What are the key properties of 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide?
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-(3-hydroxypropyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 178179224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).