methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate

C19H23N3O3 — CID 146092059

IUPACmethyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)(CNC(=O)c1cc2n(n1)CCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-19(18(24)25-2,14-8-4-3-5-9-14)13-20-17(23)16-12-15-10-6-7-11-22(15)21-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,20,23)
InChIKeyBCNCNLJJAHWJHD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate

methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate (PubChem CID 146092059) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate
PubChem CID146092059
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)(CNC(=O)c1cc2n(n1)CCCC2)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-19(18(24)25-2,14-8-4-3-5-9-14)13-20-17(23)16-12-15-10-6-7-11-22(15)21-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,20,23)
InChIKeyBCNCNLJJAHWJHD-UHFFFAOYSA-N
XLogP2.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate with MolForge

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Related Compounds

N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
methyl (2S)-2-methyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenylpropanoate
CID 100676193
methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
CID 99826011
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
methyl 2-methyl-2-phenylbutanoate
CID 562613
N-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014525
N-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 155964517
N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 128576324
2-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 73350647
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate (CID 146092059) is methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate is COC(=O)C(C)(CNC(=O)c1cc2n(n1)CCCC2)c1ccccc1.
What is the InChIKey of methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate?
The InChIKey is BCNCNLJJAHWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(18(24)25-2,14-8-4-3-5-9-14)13-20-17(23)16-12-15-10-6-7-11-22(15)21-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate?
methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate has a molecular weight of 341.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-phenyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonylamino)propanoate is sourced from PubChem (CID 146092059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).