2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one

C16H19N5O2 — CID 59603695

IUPAC2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESCC(C)(C)COc1ccc(-n2[nH]cc(-n3ccnc3)c2=O)nc1
InChIInChI=1S/C16H19N5O2/c1-16(2,3)10-23-12-4-5-14(18-8-12)21-15(22)13(9-19-21)20-7-6-17-11-20/h4-9,11,19H,10H2,1-3H3
InChIKeyRJKVBHNFPMAEIC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds4

About 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one

2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one (PubChem CID 59603695) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
PubChem CID59603695
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESCC(C)(C)COc1ccc(-n2[nH]cc(-n3ccnc3)c2=O)nc1
InChIInChI=1S/C16H19N5O2/c1-16(2,3)10-23-12-4-5-14(18-8-12)21-15(22)13(9-19-21)20-7-6-17-11-20/h4-9,11,19H,10H2,1-3H3
InChIKeyRJKVBHNFPMAEIC-UHFFFAOYSA-N
XLogP2.17
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2,2-Dimethylpropoxy)pyridin-2-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 59603553
N-[8-(2-amino-2-oxoethoxy)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N,2-dimethylpropanamide
CID 49789722
N-[2-oxo-2-[6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118743327
2-[acetyl-(2-ethyl-8-propoxyimidazo[1,2-a]pyridin-3-yl)amino]-N,N-dimethylacetamide
CID 172437227
3-(2-methylimidazol-1-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]propanamide
CID 100018924
1,4-dimethyl-N-[3-(pyridin-3-yloxy)propyl]-1H-imidazole-5-carboxamide
CID 118772365
2-[5-(2,2-dimethylpropoxy)pyridin-2-yl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
CID 59603662
N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide
CID 66839240
3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-[2-oxo-3-(3,4,5-trifluorophenyl)-4H-pyrimidin-1-yl]prop-2-enamide
CID 66839384
tert-butyl [6-[3-oxo-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]-3-pyridinyl] carbonate;hydrochloride
CID 67457070
2-[5-(2,2-dimethylpropoxy)pyridin-2-yl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one;hydrochloride
CID 67457380
5-(2,2-dimethylpropoxy)-2-[3-methylidene-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-2-yl]pyridine
CID 117808435

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one (CID 59603695) is 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one is CC(C)(C)COc1ccc(-n2[nH]cc(-n3ccnc3)c2=O)nc1.
What is the InChIKey of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one?
The InChIKey is RJKVBHNFPMAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-16(2,3)10-23-12-4-5-14(18-8-12)21-15(22)13(9-19-21)20-7-6-17-11-20/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one?
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one has a molecular weight of 313.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59603695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).