2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

C13H21ClF2N4 — CID 120906861

IUPAC2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.FC(F)n1ccc(CN2CCC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20F2N4.ClH/c14-12(15)19-7-1-11(17-19)9-18-8-4-13(10-18)2-5-16-6-3-13;/h1,7,12,16H,2-6,8-10H2;1H
InChIKeyXVVBVOMVVVITSB-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.28
Rot. Bonds3

About 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride

2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906861) has the molecular formula C13H21ClF2N4 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906861
Molecular FormulaC13H21ClF2N4
Molecular Weight306.79 g/mol
Exact Mass306.14
IUPAC Name2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.FC(F)n1ccc(CN2CCC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20F2N4.ClH/c14-12(15)19-7-1-11(17-19)9-18-8-4-13(10-18)2-5-16-6-3-13;/h1,7,12,16H,2-6,8-10H2;1H
InChIKeyXVVBVOMVVVITSB-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120966726
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906855
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906708
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906861) is 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.FC(F)n1ccc(CN2CCC3(CCNCC3)C2)n1.
What is the InChIKey of 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is XVVBVOMVVVITSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4.ClH/c14-12(15)19-7-1-11(17-19)9-18-8-4-13(10-18)2-5-16-6-3-13;/h1,7,12,16H,2-6,8-10H2;1H.
What are the key properties of 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 120906861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).