dideuterio-(1-methylpyrazol-4-yl)methanol

C5H8N2O — CID 170523002

IUPACdideuterio-(1-methylpyrazol-4-yl)methanol
SMILES[2H]C([2H])(O)c1cnn(C)c1
InChIInChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3/i4D2
InChIKeyQSXREDPBMQKKAY-APZFVMQVSA-N
MW114.14 g/mol
LogP-0.09
Rot. Bonds1

About dideuterio-(1-methylpyrazol-4-yl)methanol

dideuterio-(1-methylpyrazol-4-yl)methanol (PubChem CID 170523002) has the molecular formula C5H8N2O and a molecular weight of 114.14 g/mol. Its IUPAC name is dideuterio-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namedideuterio-(1-methylpyrazol-4-yl)methanol
PubChem CID170523002
Molecular FormulaC5H8N2O
Molecular Weight114.14 g/mol
Exact Mass114.08
IUPAC Namedideuterio-(1-methylpyrazol-4-yl)methanol
SMILES[2H]C([2H])(O)c1cnn(C)c1
InChIInChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3/i4D2
InChIKeyQSXREDPBMQKKAY-APZFVMQVSA-N
XLogP-0.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
CID 67952565

Frequently Asked Questions

What is the IUPAC name of dideuterio-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of dideuterio-(1-methylpyrazol-4-yl)methanol (CID 170523002) is dideuterio-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for dideuterio-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for dideuterio-(1-methylpyrazol-4-yl)methanol is [2H]C([2H])(O)c1cnn(C)c1.
What is the InChIKey of dideuterio-(1-methylpyrazol-4-yl)methanol?
The InChIKey is QSXREDPBMQKKAY-APZFVMQVSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-3-5(4-8)2-6-7/h2-3,8H,4H2,1H3/i4D2.
What are the key properties of dideuterio-(1-methylpyrazol-4-yl)methanol?
dideuterio-(1-methylpyrazol-4-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 170523002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).