2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane

C17H21ClN4 — CID 120908357

IUPAC2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESClc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C17H21ClN4/c18-15-3-1-2-13(8-15)16-14(9-20-21-16)10-22-7-5-17(12-22)4-6-19-11-17/h1-3,8-9,19H,4-7,10-12H2,(H,20,21)
InChIKeyGXJGGSFMUNFVIG-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.92
Rot. Bonds3

About 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908357) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908357
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESClc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C17H21ClN4/c18-15-3-1-2-13(8-15)16-14(9-20-21-16)10-22-7-5-17(12-22)4-6-19-11-17/h1-3,8-9,19H,4-7,10-12H2,(H,20,21)
InChIKeyGXJGGSFMUNFVIG-UHFFFAOYSA-N
XLogP2.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908077
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
(3S)-1-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129470465
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166396791
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 120907590
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
2-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908028
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908357) is 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane is Clc1cccc(-c2[nH]ncc2CN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is GXJGGSFMUNFVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c18-15-3-1-2-13(8-15)16-14(9-20-21-16)10-22-7-5-17(12-22)4-6-19-11-17/h1-3,8-9,19H,4-7,10-12H2,(H,20,21).
What are the key properties of 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 316.84 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).