N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H21N5O — CID 56915008

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N(C)Cc2cc(C3CC3)on2)n2nccc2n1
InChIInChI=1S/C17H21N5O/c1-11(2)14-9-17(22-16(19-14)6-7-18-22)21(3)10-13-8-15(23-20-13)12-4-5-12/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyLUQOIHOIJUNGTN-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.35
Rot. Bonds5

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56915008) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56915008
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(N(C)Cc2cc(C3CC3)on2)n2nccc2n1
InChIInChI=1S/C17H21N5O/c1-11(2)14-9-17(22-16(19-14)6-7-18-22)21(3)10-13-8-15(23-20-13)12-4-5-12/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyLUQOIHOIJUNGTN-UHFFFAOYSA-N
XLogP3.35
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11186582, Example 434
CID 118472483
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 53500752
5-[[4-[(1,3-Dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 53500754
5-Methyl-3-[[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 53532702
5-propyl-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56884311
N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56885678
N-[(5-methyl-3-isoxazolyl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56898648
5-ethyl-N-[(5-isobutylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70747822
6-cyclopentyl-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70774744
N,2,3,5-tetramethyl-N-[(5-methylisoxazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70787473
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
6-tert-butyl-N-[(5-isobutyl-3-isoxazolyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56889214

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56915008) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(N(C)Cc2cc(C3CC3)on2)n2nccc2n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LUQOIHOIJUNGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(2)14-9-17(22-16(19-14)6-7-18-22)21(3)10-13-8-15(23-20-13)12-4-5-12/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56915008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).