2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C15H25N3O — CID 114660326

IUPAC2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)C1CC2CCC1C2
InChIInChI=1S/C15H25N3O/c1-9(2)18-15(13(19-3)8-17-18)14(16)12-7-10-4-5-11(12)6-10/h8-12,14H,4-7,16H2,1-3H3
InChIKeySLRWPVPDBCFHAA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 114660326) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID114660326
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C(C)C)c1C(N)C1CC2CCC1C2
InChIInChI=1S/C15H25N3O/c1-9(2)18-15(13(19-3)8-17-18)14(16)12-7-10-4-5-11(12)6-10/h8-12,14H,4-7,16H2,1-3H3
InChIKeySLRWPVPDBCFHAA-UHFFFAOYSA-N
XLogP2.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine with MolForge

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Related Compounds

(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
(1,1-dioxothiolan-3-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114659408
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanamine
CID 114657180
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660349
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 114657848
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 115836851
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 114660326) is 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is COc1cnn(C(C)C)c1C(N)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is SLRWPVPDBCFHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9(2)18-15(13(19-3)8-17-18)14(16)12-7-10-4-5-11(12)6-10/h8-12,14H,4-7,16H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114660326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).