boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol

C9H19BN2O5 — CID 175429377

IUPACboric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1ccn[nH]1.OB(O)O
InChIInChI=1S/C9H16N2O2.BH3O3/c1-8(2,12)9(3,4)13-7-5-6-10-11-7;2-1(3)4/h5-6,12H,1-4H3,(H,10,11);2-4H
InChIKeyWXCSWBCPFHOUNO-UHFFFAOYSA-N
MW246.07 g/mol
LogP-0.71
Rot. Bonds3

About boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol

boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol (PubChem CID 175429377) has the molecular formula C9H19BN2O5 and a molecular weight of 246.07 g/mol. Its IUPAC name is boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol.

Molecular Properties

Compound Nameboric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol
PubChem CID175429377
Molecular FormulaC9H19BN2O5
Molecular Weight246.07 g/mol
Exact Mass246.14
IUPAC Nameboric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1ccn[nH]1.OB(O)O
InChIInChI=1S/C9H16N2O2.BH3O3/c1-8(2,12)9(3,4)13-7-5-6-10-11-7;2-1(3)4/h5-6,12H,1-4H3,(H,10,11);2-4H
InChIKeyWXCSWBCPFHOUNO-UHFFFAOYSA-N
XLogP-0.71
TPSA118.83 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methylpropan-2-ol;1H-pyrazol-5-yloxyboronic acid
CID 67708582
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
CID 174682571
boric acid;3-[4-(hydroxymethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 174970272
CID 176945388
CID 176945388
CID 174155754
CID 174155754
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
CID 174913955
1H-pyrazol-5-yl N-methylcarbamate
CID 154289167
trimethyl(1H-pyrazol-5-yloxymethyl)silane
CID 155784154
methoxy(1H-pyrazol-5-yl)borinic acid
CID 163384124
5-(disulfanyloxy)-1H-pyrazole
CID 146364372

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol?
The IUPAC name of boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol (CID 175429377) is boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol.
What is the SMILES notation for boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol?
The canonical SMILES for boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol is CC(C)(O)C(C)(C)Oc1ccn[nH]1.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol?
The InChIKey is WXCSWBCPFHOUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.BH3O3/c1-8(2,12)9(3,4)13-7-5-6-10-11-7;2-1(3)4/h5-6,12H,1-4H3,(H,10,11);2-4H.
What are the key properties of boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol?
boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol has a molecular weight of 246.07 g/mol, XLogP of -0.71, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol is sourced from PubChem (CID 175429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).