3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

C14H18N4 — CID 114158489

IUPAC3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCC(NC1CC(N)c2ccccc21)c1cn[nH]c1
InChIInChI=1S/C14H18N4/c1-9(10-7-16-17-8-10)18-14-6-13(15)11-4-2-3-5-12(11)14/h2-5,7-9,13-14,18H,6,15H2,1H3,(H,16,17)
InChIKeyAXXXJVPQINOGHG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds3

About 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 114158489) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID114158489
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESCC(NC1CC(N)c2ccccc21)c1cn[nH]c1
InChIInChI=1S/C14H18N4/c1-9(10-7-16-17-8-10)18-14-6-13(15)11-4-2-3-5-12(11)14/h2-5,7-9,13-14,18H,6,15H2,1H3,(H,16,17)
InChIKeyAXXXJVPQINOGHG-UHFFFAOYSA-N
XLogP2.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine (CID 114158489) is 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is CC(NC1CC(N)c2ccccc21)c1cn[nH]c1.
What is the InChIKey of 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is AXXXJVPQINOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(10-7-16-17-8-10)18-14-6-13(15)11-4-2-3-5-12(11)14/h2-5,7-9,13-14,18H,6,15H2,1H3,(H,16,17).
What are the key properties of 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 114158489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).