2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine

C15H21N7 — CID 5255415

IUPAC2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
SMILESc1cnn(CCN(CCn2cccn2)CCn2cccn2)c1
InChIInChI=1S/C15H21N7/c1-4-16-20(7-1)13-10-19(11-14-21-8-2-5-17-21)12-15-22-9-3-6-18-22/h1-9H,10-15H2
InChIKeyPVRPRGVLAGBLHN-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.98
Rot. Bonds9

About 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine

2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 5255415) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
PubChem CID5255415
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
SMILESc1cnn(CCN(CCn2cccn2)CCn2cccn2)c1
InChIInChI=1S/C15H21N7/c1-4-16-20(7-1)13-10-19(11-14-21-8-2-5-17-21)12-15-22-9-3-6-18-22/h1-9H,10-15H2
InChIKeyPVRPRGVLAGBLHN-UHFFFAOYSA-N
XLogP0.98
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N'-propyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61492014
1-(3-bromopropyl)pyrazole;hydrobromide
CID 155944004
2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
CID 54961833
3-[methyl(2-pyrazol-1-ylethyl)amino]propanenitrile
CID 61491798
6-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 134704975
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
1-pentylpyrazole;propane
CID 156859541
4-pyrazol-1-ylbutan-1-ol
CID 43509832
1-(4-fluorobutyl)pyrazole
CID 89149244
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-pyrazol-1-ylethanamine
CID 50970555
N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
CID 66216526
N',2,2-trimethyl-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928890

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine (CID 5255415) is 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine is c1cnn(CCN(CCn2cccn2)CCn2cccn2)c1.
What is the InChIKey of 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is PVRPRGVLAGBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-4-16-20(7-1)13-10-19(11-14-21-8-2-5-17-21)12-15-22-9-3-6-18-22/h1-9H,10-15H2.
What are the key properties of 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine?
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 299.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 5255415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).