4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol

C11H13N3O — CID 115022979

IUPAC4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1cc(CN)nn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-8-6-9(7-12)13-14(8)10-2-4-11(15)5-3-10/h2-6,15H,7,12H2,1H3
InChIKeyURIITMNXGAXVMF-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.35
Rot. Bonds2

About 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol

4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol (PubChem CID 115022979) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
PubChem CID115022979
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
SMILESCc1cc(CN)nn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-8-6-9(7-12)13-14(8)10-2-4-11(15)5-3-10/h2-6,15H,7,12H2,1H3
InChIKeyURIITMNXGAXVMF-UHFFFAOYSA-N
XLogP1.35
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol?
The IUPAC name of 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol (CID 115022979) is 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol.
What is the SMILES notation for 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol?
The canonical SMILES for 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol is Cc1cc(CN)nn1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol?
The InChIKey is URIITMNXGAXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-6-9(7-12)13-14(8)10-2-4-11(15)5-3-10/h2-6,15H,7,12H2,1H3.
What are the key properties of 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol?
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol is sourced from PubChem (CID 115022979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).