5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N5O2 — CID 75463886

IUPAC5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)c2n1
InChIInChI=1S/C22H27N5O2/c1-16-8-11-27-20(25-16)19(14-24-27)21(28)23-15-22(9-12-29-13-10-22)26-17(2)18-6-4-3-5-7-18/h3-8,11,14,17,26H,9-10,12-13,15H2,1-2H3,(H,23,28)
InChIKeyWVGHFLOHROLWDX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds6

About 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 75463886) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID75463886
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)c2n1
InChIInChI=1S/C22H27N5O2/c1-16-8-11-27-20(25-16)19(14-24-27)21(28)23-15-22(9-12-29-13-10-22)26-17(2)18-6-4-3-5-7-18/h3-8,11,14,17,26H,9-10,12-13,15H2,1-2H3,(H,23,28)
InChIKeyWVGHFLOHROLWDX-UHFFFAOYSA-N
XLogP2.67
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96539984
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 75463887
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750
2-methyl-1-[(2-methylphenyl)methyl]-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111831193
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 75463886) is 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)c2n1.
What is the InChIKey of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WVGHFLOHROLWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-8-11-27-20(25-16)19(14-24-27)21(28)23-15-22(9-12-29-13-10-22)26-17(2)18-6-4-3-5-7-18/h3-8,11,14,17,26H,9-10,12-13,15H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 75463886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).