3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol

C10H12N4O — CID 83864512

IUPAC3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
SMILESNCc1cc(N)n(-c2cccc(O)c2)n1
InChIInChI=1S/C10H12N4O/c11-6-7-4-10(12)14(13-7)8-2-1-3-9(15)5-8/h1-5,15H,6,11-12H2
InChIKeyPXEZZEMVPLCWIM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.62
Rot. Bonds2

About 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol

3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol (PubChem CID 83864512) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
PubChem CID83864512
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
SMILESNCc1cc(N)n(-c2cccc(O)c2)n1
InChIInChI=1S/C10H12N4O/c11-6-7-4-10(12)14(13-7)8-2-1-3-9(15)5-8/h1-5,15H,6,11-12H2
InChIKeyPXEZZEMVPLCWIM-UHFFFAOYSA-N
XLogP0.62
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1-(3-fluorophenyl)pyrazol-5-amine
CID 83864514
3-(5-aminotriazol-1-yl)phenol
CID 105436385
2-(5-amino-1-phenylpyrazol-3-yl)acetamide
CID 118392815
1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazol-5-amine
CID 82082768
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
3-(5-amino-4-ethyltriazol-1-yl)phenol
CID 105456148
3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine
CID 176757799
3-[4-(aminomethyl)-3-tert-butyl-5-methoxypyrazol-1-yl]phenol
CID 117123889
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
2-[3-(5-amino-3-butylpyrazol-1-yl)phenyl]acetamide
CID 143256407
3-(morpholin-4-ylmethyl)-1-phenylpyrazol-5-amine
CID 82171782

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol?
The IUPAC name of 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol (CID 83864512) is 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol is NCc1cc(N)n(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol?
The InChIKey is PXEZZEMVPLCWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-7-4-10(12)14(13-7)8-2-1-3-9(15)5-8/h1-5,15H,6,11-12H2.
What are the key properties of 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol?
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol has a molecular weight of 204.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83864512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).