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

C14H21N5O2 — CID 135375691

IUPACN-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3(CCNCC3)C2)c1
InChIInChI=1S/C14H21N5O2/c1-11(20)17(2)12-7-16-19(8-12)13(21)18-9-14(10-18)3-5-15-6-4-14/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyNJPMRCYQYHMQLG-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.52
Rot. Bonds1

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

N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375691) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide
PubChem CID135375691
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3(CCNCC3)C2)c1
InChIInChI=1S/C14H21N5O2/c1-11(20)17(2)12-7-16-19(8-12)13(21)18-9-14(10-18)3-5-15-6-4-14/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyNJPMRCYQYHMQLG-UHFFFAOYSA-N
XLogP0.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide (CID 135375691) is N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3(CCNCC3)C2)c1.
What is the InChIKey of N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide?
The InChIKey is NJPMRCYQYHMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-11(20)17(2)12-7-16-19(8-12)13(21)18-9-14(10-18)3-5-15-6-4-14/h7-8,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide?
N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide has a molecular weight of 291.36 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-diazaspiro[3.5]nonane-2-carbonyl)pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).