1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine

C22H24N6 — CID 68666578

IUPAC1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESNCC(N)(c1[nH]ncc1Cc1ccccc1)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C22H24N6/c23-15-22(24,20-18(13-25-27-20)11-16-7-3-1-4-8-16)21-19(14-26-28-21)12-17-9-5-2-6-10-17/h1-10,13-14H,11-12,15,23-24H2,(H,25,27)(H,26,28)
InChIKeyXQNXVVMVOLQEHY-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.48
Rot. Bonds7

About 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine

1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine (PubChem CID 68666578) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
PubChem CID68666578
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
SMILESNCC(N)(c1[nH]ncc1Cc1ccccc1)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C22H24N6/c23-15-22(24,20-18(13-25-27-20)11-16-7-3-1-4-8-16)21-19(14-26-28-21)12-17-9-5-2-6-10-17/h1-10,13-14H,11-12,15,23-24H2,(H,25,27)(H,26,28)
InChIKeyXQNXVVMVOLQEHY-UHFFFAOYSA-N
XLogP2.48
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]aniline
CID 91454135
O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
CID 70536537
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzamide
CID 91220940
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
2-(5-trityl-1H-pyrazol-4-yl)ethanol
CID 67674618
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
3,4-dibenzyl-1H-pyrrole
CID 4984366
methyl 4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]benzoate
CID 91610562

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine (CID 68666578) is 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine is NCC(N)(c1[nH]ncc1Cc1ccccc1)c1[nH]ncc1Cc1ccccc1.
What is the InChIKey of 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is XQNXVVMVOLQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c23-15-22(24,20-18(13-25-27-20)11-16-7-3-1-4-8-16)21-19(14-26-28-21)12-17-9-5-2-6-10-17/h1-10,13-14H,11-12,15,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine?
1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 372.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 68666578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).