ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate

C16H17N5O2 — CID 23143662

IUPACethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C16H17N5O2/c1-4-23-16(22)13-7-15(14-9-20(3)10-18-14)21(19-13)12-6-5-11(2)17-8-12/h5-10H,4H2,1-3H3
InChIKeySMKWSBFNBGTWSO-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.15
Rot. Bonds4

About ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate

ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate (PubChem CID 23143662) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
PubChem CID23143662
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nameethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cn(C)cn2)n(-c2ccc(C)nc2)n1
InChIInChI=1S/C16H17N5O2/c1-4-23-16(22)13-7-15(14-9-20(3)10-18-14)21(19-13)12-6-5-11(2)17-8-12/h5-10H,4H2,1-3H3
InChIKeySMKWSBFNBGTWSO-UHFFFAOYSA-N
XLogP2.15
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10273222, Example 46
CID 90407832
Methyl 3-methyl-3H-imidazo(4,5-c)pyridine-6-carboxylate
CID 68056627
ethyl 4-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 46980280
ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
CID 46980282
ethyl 4-{1-[(3-methyl-1H-pyrazol-5-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-1H-pyrazole-3-carboxylate
CID 50985130
[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
CID 97594422
[(2R)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 97795125
ethyl 4-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate;hydrochloride
CID 118741865
ethyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]-1H-pyrazole-3-carboxylate
CID 177665123
Methyl 5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxylate
CID 23728666
5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 58505866
5-(7-Fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 58505928

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate (CID 23143662) is ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cn(C)cn2)n(-c2ccc(C)nc2)n1.
What is the InChIKey of ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is SMKWSBFNBGTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-23-16(22)13-7-15(14-9-20(3)10-18-14)21(19-13)12-6-5-11(2)17-8-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-methylimidazol-4-yl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 23143662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).