3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol

C12H16N4O — CID 117210212

IUPAC3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
SMILESCn1ncc(NCCN)c1-c1cccc(O)c1
InChIInChI=1S/C12H16N4O/c1-16-12(9-3-2-4-10(17)7-9)11(8-15-16)14-6-5-13/h2-4,7-8,14,17H,5-6,13H2,1H3
InChIKeyMMNVIHZGIIZLMY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds4

About 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol

3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol (PubChem CID 117210212) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
PubChem CID117210212
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
SMILESCn1ncc(NCCN)c1-c1cccc(O)c1
InChIInChI=1S/C12H16N4O/c1-16-12(9-3-2-4-10(17)7-9)11(8-15-16)14-6-5-13/h2-4,7-8,14,17H,5-6,13H2,1H3
InChIKeyMMNVIHZGIIZLMY-UHFFFAOYSA-N
XLogP1.16
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The IUPAC name of 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol (CID 117210212) is 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol.
What is the SMILES notation for 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The canonical SMILES for 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol is Cn1ncc(NCCN)c1-c1cccc(O)c1.
What is the InChIKey of 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The InChIKey is MMNVIHZGIIZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12(9-3-2-4-10(17)7-9)11(8-15-16)14-6-5-13/h2-4,7-8,14,17H,5-6,13H2,1H3.
What are the key properties of 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol has a molecular weight of 232.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol is sourced from PubChem (CID 117210212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).