1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C13H21N3 — CID 107384395

IUPAC1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2C1CCCC1
InChIInChI=1S/C13H21N3/c14-12-7-3-4-8-13-11(12)9-15-16(13)10-5-1-2-6-10/h9-10,12H,1-8,14H2
InChIKeyWDIOZVKIBPTWSU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds1

About 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384395) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384395
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2C1CCCC1
InChIInChI=1S/C13H21N3/c14-12-7-3-4-8-13-11(12)9-15-16(13)10-5-1-2-6-10/h9-10,12H,1-8,14H2
InChIKeyWDIOZVKIBPTWSU-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384395) is 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is NC1CCCCc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is WDIOZVKIBPTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-12-7-3-4-8-13-11(12)9-15-16(13)10-5-1-2-6-10/h9-10,12H,1-8,14H2.
What are the key properties of 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).