N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine

C13H19N3 — CID 103866865

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C13H19N3/c1-9-13(8-16(2)15-9)14-7-12-6-10-3-4-11(12)5-10/h3-4,8,10-12,14H,5-7H2,1-2H3
InChIKeyGJONXOJIPRIMFM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.35
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 103866865) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine
PubChem CID103866865
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C13H19N3/c1-9-13(8-16(2)15-9)14-7-12-6-10-3-4-11(12)5-10/h3-4,8,10-12,14H,5-7H2,1-2H3
InChIKeyGJONXOJIPRIMFM-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094606
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 98403299
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-difluoro-4-methylaniline
CID 103585133
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-bromo-5-methylaniline
CID 82761415
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-[2-(diethylamino)ethyl]pyrazol-4-amine
CID 60931578
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylpyridin-2-amine
CID 115692610
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 139371426
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine
CID 83163615
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
CID 43781239

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine (CID 103866865) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is GJONXOJIPRIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-13(8-16(2)15-9)14-7-12-6-10-3-4-11(12)5-10/h3-4,8,10-12,14H,5-7H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103866865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).