N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide

C13H20N4O — CID 54898660

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)c1cn[nH]c1)C2
InChIInChI=1S/C13H20N4O/c1-17-11-2-3-12(17)5-9(4-11)6-14-13(18)10-7-15-16-8-10/h7-9,11-12H,2-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyAQPZROCDPPEPIA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds3

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 54898660) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID54898660
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)c1cn[nH]c1)C2
InChIInChI=1S/C13H20N4O/c1-17-11-2-3-12(17)5-9(4-11)6-14-13(18)10-7-15-16-8-10/h7-9,11-12H,2-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyAQPZROCDPPEPIA-UHFFFAOYSA-N
XLogP1.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
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CID 91921353
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
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1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-(1-cyclopentyl-2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 122150161
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-pyrazole-4-carboxamide
CID 124608848

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide (CID 54898660) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide is CN1C2CCC1CC(CNC(=O)c1cn[nH]c1)C2.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AQPZROCDPPEPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-11-2-3-12(17)5-9(4-11)6-14-13(18)10-7-15-16-8-10/h7-9,11-12H,2-6H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54898660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).