4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol

C18H16N4O2 — CID 135923566

IUPAC4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol
SMILESCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2O)n1
InChIInChI=1S/C18H16N4O2/c1-22-10-15(18(20-22)14-6-7-19-9-17(14)23)12-2-4-13-11(8-12)3-5-16(13)21-24/h2,4,6-10,16,23H,3,5H2,1H3
InChIKeyKLWOACDZIMMYOP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.61
Rot. Bonds3

About 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol

4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol (PubChem CID 135923566) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol
PubChem CID135923566
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol
SMILESCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2O)n1
InChIInChI=1S/C18H16N4O2/c1-22-10-15(18(20-22)14-6-7-19-9-17(14)23)12-2-4-13-11(8-12)3-5-16(13)21-24/h2,4,6-10,16,23H,3,5H2,1H3
InChIKeyKLWOACDZIMMYOP-UHFFFAOYSA-N
XLogP3.61
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
CID 91896026
4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine
CID 91403356
4-[2-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-piperidin-4-ylfuran-3-yl]pyridine
CID 91092541
4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine
CID 91203188
(2,4-dihydroxyphenyl)-[2-methyl-6-[3-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 123280304
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425
4-(4-methylphenyl)pyridin-3-ol
CID 22125492
N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 51353324
ethyl 3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]furo[2,3-c]pyridine-2-carboxylate
CID 90807936
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol?
The IUPAC name of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol (CID 135923566) is 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol.
What is the SMILES notation for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol?
The canonical SMILES for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol is Cn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2O)n1.
What is the InChIKey of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol?
The InChIKey is KLWOACDZIMMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-10-15(18(20-22)14-6-7-19-9-17(14)23)12-2-4-13-11(8-12)3-5-16(13)21-24/h2,4,6-10,16,23H,3,5H2,1H3.
What are the key properties of 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol?
4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol has a molecular weight of 320.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)pyrazol-3-yl]pyridin-3-ol is sourced from PubChem (CID 135923566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).