N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide

C21H26ClN5O2 — CID 135375927

IUPACN-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2cccc(Cl)c2)C3)c1
InChIInChI=1S/C21H26ClN5O2/c1-16(28)24(2)19-11-23-27(13-19)20(29)26-8-6-21(7-9-26)14-25(15-21)12-17-4-3-5-18(22)10-17/h3-5,10-11,13H,6-9,12,14-15H2,1-2H3
InChIKeyLQEXKBJASYPNBD-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.09
Rot. Bonds3

About N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375927) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375927
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2cccc(Cl)c2)C3)c1
InChIInChI=1S/C21H26ClN5O2/c1-16(28)24(2)19-11-23-27(13-19)20(29)26-8-6-21(7-9-26)14-25(15-21)12-17-4-3-5-18(22)10-17/h3-5,10-11,13H,6-9,12,14-15H2,1-2H3
InChIKeyLQEXKBJASYPNBD-UHFFFAOYSA-N
XLogP3.09
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

US10323038, Example 70
CID 135375561
US10323038, Example 198
CID 135375596
US10323038, Example 122
CID 135375641
US10323038, Example 26
CID 135375656
US10323038, Example 214
CID 135375664
US10323038, Example 44
CID 135375738
US10323038, Example 277
CID 135375750
US10323038, Example 205
CID 135375919
US10323038, Example 38
CID 135375957
US10323038, Example 209
CID 135375983
US10323038, Example 109
CID 135375446
US10323038, Example 55
CID 135375457

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375927) is N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCC3(CC2)CN(Cc2cccc(Cl)c2)C3)c1.
What is the InChIKey of N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is LQEXKBJASYPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-16(28)24(2)19-11-23-27(13-19)20(29)26-8-6-21(7-9-26)14-25(15-21)12-17-4-3-5-18(22)10-17/h3-5,10-11,13H,6-9,12,14-15H2,1-2H3.
What are the key properties of N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 415.93 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).