(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

C14H17N3O — CID 65042279

IUPAC(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCn1cc(C(O)C2CCc3ccccc3N2)cn1
InChIInChI=1S/C14H17N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-5,8-9,13-14,16,18H,6-7H2,1H3
InChIKeyYNBCCYXYXNCBNJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (PubChem CID 65042279) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
PubChem CID65042279
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESCn1cc(C(O)C2CCc3ccccc3N2)cn1
InChIInChI=1S/C14H17N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-5,8-9,13-14,16,18H,6-7H2,1H3
InChIKeyYNBCCYXYXNCBNJ-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
CID 114981786
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
CID 65041637
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65101161
(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 79970709
pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041776
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041772
azetidin-3-yl-(1-methylpyrazol-4-yl)methanol
CID 130510223
2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
CID 3825939
2,3-dihydro-1H-indol-2-yl(pyridin-3-yl)methanol
CID 65042396
2-amino-2-(1-methylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 115290593
1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
CID 65041589

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The IUPAC name of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (CID 65042279) is (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is Cn1cc(C(O)C2CCc3ccccc3N2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The InChIKey is YNBCCYXYXNCBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-11(8-15-17)14(18)13-7-6-10-4-2-3-5-12(10)16-13/h2-5,8-9,13-14,16,18H,6-7H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol has a molecular weight of 243.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is sourced from PubChem (CID 65042279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).