3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol

C13H15N3O — CID 83861544

IUPAC3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol
SMILESNCC1CCc2c1cnn2-c1cccc(O)c1
InChIInChI=1S/C13H15N3O/c14-7-9-4-5-13-12(9)8-15-16(13)10-2-1-3-11(17)6-10/h1-3,6,8-9,17H,4-5,7,14H2
InChIKeyGZNMIIWFZSDXRU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.57
Rot. Bonds2

About 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol

3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol (PubChem CID 83861544) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol
PubChem CID83861544
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol
SMILESNCC1CCc2c1cnn2-c1cccc(O)c1
InChIInChI=1S/C13H15N3O/c14-7-9-4-5-13-12(9)8-15-16(13)10-2-1-3-11(17)6-10/h1-3,6,8-9,17H,4-5,7,14H2
InChIKeyGZNMIIWFZSDXRU-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol?
The IUPAC name of 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol (CID 83861544) is 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol is NCC1CCc2c1cnn2-c1cccc(O)c1.
What is the InChIKey of 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol?
The InChIKey is GZNMIIWFZSDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-7-9-4-5-13-12(9)8-15-16(13)10-2-1-3-11(17)6-10/h1-3,6,8-9,17H,4-5,7,14H2.
What are the key properties of 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol?
3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol is sourced from PubChem (CID 83861544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).