2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride

C15H17ClN4O2 — CID 174582857

IUPAC2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCOCc1ccc(N2NC=C(c3cccnc3)C2O)nc1.Cl
InChIInChI=1S/C15H16N4O2.ClH/c1-21-10-11-4-5-14(17-7-11)19-15(20)13(9-18-19)12-3-2-6-16-8-12;/h2-9,15,18,20H,10H2,1H3;1H
InChIKeyXBYBPAWHBWSZJS-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.73
Rot. Bonds4

About 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride

2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride (PubChem CID 174582857) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride
PubChem CID174582857
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride
SMILESCOCc1ccc(N2NC=C(c3cccnc3)C2O)nc1.Cl
InChIInChI=1S/C15H16N4O2.ClH/c1-21-10-11-4-5-14(17-7-11)19-15(20)13(9-18-19)12-3-2-6-16-8-12;/h2-9,15,18,20H,10H2,1H3;1H
InChIKeyXBYBPAWHBWSZJS-UHFFFAOYSA-N
XLogP1.73
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The IUPAC name of 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride (CID 174582857) is 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride.
What is the SMILES notation for 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The canonical SMILES for 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride is COCc1ccc(N2NC=C(c3cccnc3)C2O)nc1.Cl.
What is the InChIKey of 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
The InChIKey is XBYBPAWHBWSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2.ClH/c1-21-10-11-4-5-14(17-7-11)19-15(20)13(9-18-19)12-3-2-6-16-8-12;/h2-9,15,18,20H,10H2,1H3;1H.
What are the key properties of 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride?
2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride is sourced from PubChem (CID 174582857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).