N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide

C13H20N4O — CID 127865471

IUPACN-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCn1cc(NC(=O)N2CC3(CCCCC3)C2)cn1
InChIInChI=1S/C13H20N4O/c1-16-8-11(7-14-16)15-12(18)17-9-13(10-17)5-3-2-4-6-13/h7-8H,2-6,9-10H2,1H3,(H,15,18)
InChIKeyMACFKNCJUHHATN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.22
Rot. Bonds1

About N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide

N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 127865471) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID127865471
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCn1cc(NC(=O)N2CC3(CCCCC3)C2)cn1
InChIInChI=1S/C13H20N4O/c1-16-8-11(7-14-16)15-12(18)17-9-13(10-17)5-3-2-4-6-13/h7-8H,2-6,9-10H2,1H3,(H,15,18)
InChIKeyMACFKNCJUHHATN-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71708810
1-amino-N-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 65465915
1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096249
N-(4-methyl-3-pyridinyl)-2-azaspiro[3.4]octane-2-carboxamide
CID 146089930
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide (CID 127865471) is N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide is Cn1cc(NC(=O)N2CC3(CCCCC3)C2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is MACFKNCJUHHATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-8-11(7-14-16)15-12(18)17-9-13(10-17)5-3-2-4-6-13/h7-8H,2-6,9-10H2,1H3,(H,15,18).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide?
N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 127865471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).