[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate

C17H15N3O2 — CID 99858572

IUPAC[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
SMILESCn1nccc1[C@H](OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-20-15(9-11-19-20)16(13-6-3-2-4-7-13)22-17(21)14-8-5-10-18-12-14/h2-12,16H,1H3/t16-/m1/s1
InChIKeyLDKUTPMTXTVKIJ-MRXNPFEDSA-N
MW293.33 g/mol
LogP2.76
Rot. Bonds4

About [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate

[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate (PubChem CID 99858572) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
PubChem CID99858572
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
SMILESCn1nccc1[C@H](OC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-20-15(9-11-19-20)16(13-6-3-2-4-7-13)22-17(21)14-8-5-10-18-12-14/h2-12,16H,1H3/t16-/m1/s1
InChIKeyLDKUTPMTXTVKIJ-MRXNPFEDSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(S)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate
CID 99858571
benzhydryl pyridine-4-carboxylate
CID 891439
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-3-carboxylate
CID 887617
[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 51097573
methyl benzoate;methyl pyridine-3-carboxylate;1-methylpyrrole
CID 161014753
1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 59575915
[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
(111C)methyl pyridine-3-carboxylate
CID 11309537
[(E)-1-phenylpropylideneamino] pyridine-3-carboxylate
CID 10106353
[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate
CID 9414407
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978

Frequently Asked Questions

What is the IUPAC name of [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate?
The IUPAC name of [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate (CID 99858572) is [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate.
What is the SMILES notation for [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate?
The canonical SMILES for [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate is Cn1nccc1[C@H](OC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate?
The InChIKey is LDKUTPMTXTVKIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-15(9-11-19-20)16(13-6-3-2-4-7-13)22-17(21)14-8-5-10-18-12-14/h2-12,16H,1H3/t16-/m1/s1.
What are the key properties of [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate?
[(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(2-methylpyrazol-3-yl)-phenylmethyl] pyridine-3-carboxylate is sourced from PubChem (CID 99858572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).