2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol

C10H12N4O — CID 83863992

IUPAC2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol
SMILESNCc1cc(N)nn1-c1ccccc1O
InChIInChI=1S/C10H12N4O/c11-6-7-5-10(12)13-14(7)8-3-1-2-4-9(8)15/h1-5,15H,6,11H2,(H2,12,13)
InChIKeyOOGHUCDYPALDNF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.62
Rot. Bonds2

About 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol

2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol (PubChem CID 83863992) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol
PubChem CID83863992
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol
SMILESNCc1cc(N)nn1-c1ccccc1O
InChIInChI=1S/C10H12N4O/c11-6-7-5-10(12)13-14(7)8-3-1-2-4-9(8)15/h1-5,15H,6,11H2,(H2,12,13)
InChIKeyOOGHUCDYPALDNF-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol (CID 83863992) is 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol is NCc1cc(N)nn1-c1ccccc1O.
What is the InChIKey of 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol?
The InChIKey is OOGHUCDYPALDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-7-5-10(12)13-14(7)8-3-1-2-4-9(8)15/h1-5,15H,6,11H2,(H2,12,13).
What are the key properties of 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol?
2-[3-amino-5-(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 2-[3-amino-5-(aminomethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83863992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).