3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine

C11H20N4 — CID 79461381

IUPAC3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESCC(C)n1cc(NC2CCC(N)C2)cn1
InChIInChI=1S/C11H20N4/c1-8(2)15-7-11(6-13-15)14-10-4-3-9(12)5-10/h6-10,14H,3-5,12H2,1-2H3
InChIKeyJFLXHDQDZCXKEP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.76
Rot. Bonds3

About 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine

3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine (PubChem CID 79461381) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
PubChem CID79461381
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESCC(C)n1cc(NC2CCC(N)C2)cn1
InChIInChI=1S/C11H20N4/c1-8(2)15-7-11(6-13-15)14-10-4-3-9(12)5-10/h6-10,14H,3-5,12H2,1-2H3
InChIKeyJFLXHDQDZCXKEP-UHFFFAOYSA-N
XLogP1.76
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine (CID 79461381) is 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine is CC(C)n1cc(NC2CCC(N)C2)cn1.
What is the InChIKey of 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine?
The InChIKey is JFLXHDQDZCXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)15-7-11(6-13-15)14-10-4-3-9(12)5-10/h6-10,14H,3-5,12H2,1-2H3.
What are the key properties of 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine?
3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).