N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine

C11H18N4 — CID 112709119

IUPACN-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
SMILESc1n[nH]cc1NC1CCN2CCCC1C2
InChIInChI=1S/C11H18N4/c1-2-9-8-15(4-1)5-3-11(9)14-10-6-12-13-7-10/h6-7,9,11,14H,1-5,8H2,(H,12,13)
InChIKeyNCHTYWULSBPSIC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.31
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine

N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine (PubChem CID 112709119) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
PubChem CID112709119
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
SMILESc1n[nH]cc1NC1CCN2CCCC1C2
InChIInChI=1S/C11H18N4/c1-2-9-8-15(4-1)5-3-11(9)14-10-6-12-13-7-10/h6-7,9,11,14H,1-5,8H2,(H,12,13)
InChIKeyNCHTYWULSBPSIC-UHFFFAOYSA-N
XLogP1.31
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.1]octan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648546
N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364132
(4S,5R)-N-[5-(1H-indol-4-yl)pyrimidin-2-yl]-1-azabicyclo[3.3.1]nonan-4-amine
CID 67362002
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide
CID 114133715
N-(1-azabicyclo[3.2.1]octan-4-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 105363779
N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363660
N-[4-[(dimethylamino)methyl]phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364289
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenol
CID 105364646
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine?
The IUPAC name of N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine (CID 112709119) is N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine is c1n[nH]cc1NC1CCN2CCCC1C2.
What is the InChIKey of N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine?
The InChIKey is NCHTYWULSBPSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-9-8-15(4-1)5-3-11(9)14-10-6-12-13-7-10/h6-7,9,11,14H,1-5,8H2,(H,12,13).
What are the key properties of N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine?
N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine has a molecular weight of 206.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine is sourced from PubChem (CID 112709119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).