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

C14H17N3O — CID 83854079

IUPAC3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESNCc1nn(Cc2ccccc2)c2c1CC(O)C2
InChIInChI=1S/C14H17N3O/c15-8-13-12-6-11(18)7-14(12)17(16-13)9-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2
InChIKeyUBMGKPLVQAWOBN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.85
Rot. Bonds3

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

3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (PubChem CID 83854079) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
PubChem CID83854079
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol
SMILESNCc1nn(Cc2ccccc2)c2c1CC(O)C2
InChIInChI=1S/C14H17N3O/c15-8-13-12-6-11(18)7-14(12)17(16-13)9-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2
InChIKeyUBMGKPLVQAWOBN-UHFFFAOYSA-N
XLogP0.85
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The IUPAC name of 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol (CID 83854079) is 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is NCc1nn(Cc2ccccc2)c2c1CC(O)C2.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
The InChIKey is UBMGKPLVQAWOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-8-13-12-6-11(18)7-14(12)17(16-13)9-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2.
What are the key properties of 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol?
3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol has a molecular weight of 243.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-ol is sourced from PubChem (CID 83854079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).