N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H26N4O2 — CID 44580007

IUPACN-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C
InChIInChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26)
InChIKeyCGGPQQYOXKBDOB-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.59
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 44580007) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID44580007
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCC(C)NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C
InChIInChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26)
InChIKeyCGGPQQYOXKBDOB-UHFFFAOYSA-N
XLogP3.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 44580007) is N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is COCC(C)NC(=O)c1cnc2c(-c3ccc(C(C)C)cc3)cnn2c1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CGGPQQYOXKBDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)16-6-8-17(9-7-16)19-11-23-25-15(4)18(10-22-20(19)25)21(26)24-14(3)12-27-5/h6-11,13-14H,12H2,1-5H3,(H,24,26).
What are the key properties of N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 44580007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).