(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol

C10H16N2O2 — CID 63960737

IUPAC(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
SMILESCn1nccc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-12-9(2-5-11-12)10(13)8-3-6-14-7-4-8/h2,5,8,10,13H,3-4,6-7H2,1H3
InChIKeyNVQOSKWBMWMTOC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.88
Rot. Bonds2

About (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol

(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol (PubChem CID 63960737) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
PubChem CID63960737
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
SMILESCn1nccc1C(O)C1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-12-9(2-5-11-12)10(13)8-3-6-14-7-4-8/h2,5,8,10,13H,3-4,6-7H2,1H3
InChIKeyNVQOSKWBMWMTOC-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425663
(R)-(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 124512855
(2-methylpyrazol-3-yl)-(oxolan-3-yl)methanamine
CID 65330620
(2-methylpyrazol-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 114554117
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
N-methyl-1-(2-methylpyrazol-3-yl)-1-(oxolan-3-yl)methanamine
CID 65330463
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 106757083
[(2-methylpyrazol-3-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105229276
2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol
CID 130510505
[1-[(3-chloro-2-methylphenyl)methyl]piperidin-4-yl]-(2-methylpyrazol-3-yl)methanol
CID 154786461
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol?
The IUPAC name of (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol (CID 63960737) is (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol is Cn1nccc1C(O)C1CCOCC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol?
The InChIKey is NVQOSKWBMWMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-9(2-5-11-12)10(13)8-3-6-14-7-4-8/h2,5,8,10,13H,3-4,6-7H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol?
(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 63960737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).