1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine

C13H15N3 — CID 118578787

IUPAC1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
SMILESNC1Cc2cnn(Cc3ccccc3)c2C1
InChIInChI=1S/C13H15N3/c14-12-6-11-8-15-16(13(11)7-12)9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9,14H2
InChIKeyYINRDLDPEDSJOA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds2

About 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine

1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine (PubChem CID 118578787) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
PubChem CID118578787
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
SMILESNC1Cc2cnn(Cc3ccccc3)c2C1
InChIInChI=1S/C13H15N3/c14-12-6-11-8-15-16(13(11)7-12)9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9,14H2
InChIKeyYINRDLDPEDSJOA-UHFFFAOYSA-N
XLogP1.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine?
The IUPAC name of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine (CID 118578787) is 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine.
What is the SMILES notation for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine?
The canonical SMILES for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine is NC1Cc2cnn(Cc3ccccc3)c2C1.
What is the InChIKey of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine?
The InChIKey is YINRDLDPEDSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-12-6-11-8-15-16(13(11)7-12)9-10-4-2-1-3-5-10/h1-5,8,12H,6-7,9,14H2.
What are the key properties of 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine?
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine has a molecular weight of 213.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine is sourced from PubChem (CID 118578787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).