2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine

C15H21N7 — CID 66661506

IUPAC2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESc1cc(CCN(CCc2ccn[nH]2)CCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C15H21N7/c1-7-16-19-13(1)4-10-22(11-5-14-2-8-17-20-14)12-6-15-3-9-18-21-15/h1-3,7-9H,4-6,10-12H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyAJQCJJWVRAILRI-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.19
Rot. Bonds9

About 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine

2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 66661506) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID66661506
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESc1cc(CCN(CCc2ccn[nH]2)CCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C15H21N7/c1-7-16-19-13(1)4-10-22(11-5-14-2-8-17-20-14)12-6-15-3-9-18-21-15/h1-3,7-9H,4-6,10-12H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyAJQCJJWVRAILRI-UHFFFAOYSA-N
XLogP1.19
TPSA89.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 66661506) is 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine is c1cc(CCN(CCc2ccn[nH]2)CCc2ccn[nH]2)[nH]n1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is AJQCJJWVRAILRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-7-16-19-13(1)4-10-22(11-5-14-2-8-17-20-14)12-6-15-3-9-18-21-15/h1-3,7-9H,4-6,10-12H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine?
2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-N,N-bis[2-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 66661506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).