2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C24H29ClN4 — CID 120908278

IUPAC2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(Cn2cc(CN3CCC4(CCNC4)C3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H28N4.ClH/c1-3-7-20(8-4-1)15-28-17-22(23(26-28)21-9-5-2-6-10-21)16-27-14-12-24(19-27)11-13-25-18-24;/h1-10,17,25H,11-16,18-19H2;1H
InChIKeyBIEFJGADYIKJHF-UHFFFAOYSA-N
MW408.98 g/mol
LogP4.21
Rot. Bonds5

About 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908278) has the molecular formula C24H29ClN4 and a molecular weight of 408.98 g/mol. Its IUPAC name is 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908278
Molecular FormulaC24H29ClN4
Molecular Weight408.98 g/mol
Exact Mass408.21
IUPAC Name2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1ccc(Cn2cc(CN3CCC4(CCNC4)C3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H28N4.ClH/c1-3-7-20(8-4-1)15-28-17-22(23(26-28)21-9-5-2-6-10-21)16-27-14-12-24(19-27)11-13-25-18-24;/h1-10,17,25H,11-16,18-19H2;1H
InChIKeyBIEFJGADYIKJHF-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.98
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907224
2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908028
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518
2-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120907960
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908278) is 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1ccc(Cn2cc(CN3CCC4(CCNC4)C3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is BIEFJGADYIKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4.ClH/c1-3-7-20(8-4-1)15-28-17-22(23(26-28)21-9-5-2-6-10-21)16-27-14-12-24(19-27)11-13-25-18-24;/h1-10,17,25H,11-16,18-19H2;1H.
What are the key properties of 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 408.98 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).