N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide

C20H26N4O — CID 167882397

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C1CNCC12CCCC2
InChIInChI=1S/C20H26N4O/c25-19(18-12-21-15-20(18)8-4-5-9-20)22-10-17-11-23-24(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,11,14,18,21H,4-5,8-10,12-13,15H2,(H,22,25)
InChIKeyBYWNGPZHHRMTOJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.33
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 167882397) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID167882397
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)C1CNCC12CCCC2
InChIInChI=1S/C20H26N4O/c25-19(18-12-21-15-20(18)8-4-5-9-20)22-10-17-11-23-24(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,11,14,18,21H,4-5,8-10,12-13,15H2,(H,22,25)
InChIKeyBYWNGPZHHRMTOJ-UHFFFAOYSA-N
XLogP2.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72931571
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 138011170
N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 138010740
N-[(1-benzylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47057300
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide (CID 167882397) is N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide is O=C(NCc1cnn(Cc2ccccc2)c1)C1CNCC12CCCC2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is BYWNGPZHHRMTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-19(18-12-21-15-20(18)8-4-5-9-20)22-10-17-11-23-24(14-17)13-16-6-2-1-3-7-16/h1-3,6-7,11,14,18,21H,4-5,8-10,12-13,15H2,(H,22,25).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 167882397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).