carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol

C12H14N2O4 — CID 118510416

IUPACcarbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
SMILESCc1cc(C)n(-c2ccccc2O)n1.O=C(O)O
InChIInChI=1S/C11H12N2O.CH2O3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14;2-1(3)4/h3-7,14H,1-2H3;(H2,2,3,4)
InChIKeyYDNGPMOMKLNELA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.42
Rot. Bonds1

About carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol

carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol (PubChem CID 118510416) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol.

Molecular Properties

Compound Namecarbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
PubChem CID118510416
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namecarbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
SMILESCc1cc(C)n(-c2ccccc2O)n1.O=C(O)O
InChIInChI=1S/C11H12N2O.CH2O3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14;2-1(3)4/h3-7,14H,1-2H3;(H2,2,3,4)
InChIKeyYDNGPMOMKLNELA-UHFFFAOYSA-N
XLogP2.42
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol?
The IUPAC name of carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol (CID 118510416) is carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol.
What is the SMILES notation for carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol?
The canonical SMILES for carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol is Cc1cc(C)n(-c2ccccc2O)n1.O=C(O)O.
What is the InChIKey of carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol?
The InChIKey is YDNGPMOMKLNELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.CH2O3/c1-8-7-9(2)13(12-8)10-5-3-4-6-11(10)14;2-1(3)4/h3-7,14H,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol?
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol has a molecular weight of 250.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol is sourced from PubChem (CID 118510416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).