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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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-propan-2-ylpiperazine-1-carboxamide
CID 53505760
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
1-(1-Cyclopropylpiperidin-4-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 45821364
1-(1-Ethylpyrazol-4-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 45825564
1-[(1-Ethylpiperidin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)urea
CID 47480763
3-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N,N-dimethylpropanamide
CID 84591885
1-(1-Methylpyrazol-4-yl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]urea
CID 71978963
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71994414
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 75501269
N-[1-(difluoromethyl)pyrazol-4-yl]-7-methyl-1,7-diazaspiro[3.5]nonane-1-carboxamide
CID 136562805
1-[(1-Acetylpiperidin-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 137923769
N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 146107992

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).