N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C16H25N3 — CID 98403299

IUPACN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C16H25N3/c1-10(2)19-12(4)16(11(3)18-19)17-9-15-8-13-5-6-14(15)7-13/h5-6,10,13-15,17H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyMISORTSLSQPGAR-KKUMJFAQSA-N
MW259.40 g/mol
LogP3.70
Rot. Bonds4

About N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 98403299) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID98403299
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C16H25N3/c1-10(2)19-12(4)16(11(3)18-19)17-9-15-8-13-5-6-14(15)7-13/h5-6,10,13-15,17H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
InChIKeyMISORTSLSQPGAR-KKUMJFAQSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 98403299) is N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is MISORTSLSQPGAR-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H25N3/c1-10(2)19-12(4)16(11(3)18-19)17-9-15-8-13-5-6-14(15)7-13/h5-6,10,13-15,17H,7-9H2,1-4H3/t13-,14-,15-/m0/s1.
What are the key properties of N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 259.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 98403299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).