methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate

C15H20N4O3 — CID 166302235

IUPACmethyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCC(C)N(CC(=O)OC)C(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C15H20N4O3/c1-5-10(2)18(9-14(20)22-4)15(21)12-8-16-13-6-7-17-19(13)11(12)3/h6-8,10H,5,9H2,1-4H3
InChIKeyLDZNRGPCHGBGTE-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.45
Rot. Bonds5

About methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate

methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 166302235) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate
PubChem CID166302235
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namemethyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate
SMILESCCC(C)N(CC(=O)OC)C(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C15H20N4O3/c1-5-10(2)18(9-14(20)22-4)15(21)12-8-16-13-6-7-17-19(13)11(12)3/h6-8,10H,5,9H2,1-4H3
InChIKeyLDZNRGPCHGBGTE-UHFFFAOYSA-N
XLogP1.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 167952889
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166302285
methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
CID 119051146
7-methyl-N-[(4-methylsulfanylphenyl)methyl]-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 74240511
N-[(5-chlorofuran-2-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332112
7-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56869323
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 95718612
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 74234910
methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate
CID 124737977
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162844227
methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
CID 112706645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate (CID 166302235) is methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate is CCC(C)N(CC(=O)OC)C(=O)c1cnc2ccnn2c1C.
What is the InChIKey of methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is LDZNRGPCHGBGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-5-10(2)18(9-14(20)22-4)15(21)12-8-16-13-6-7-17-19(13)11(12)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate?
methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 304.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 166302235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).