3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H24N4O — CID 119781657

IUPAC3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1-n1cccn1
InChIInChI=1S/C19H24N4O/c1-12(15-5-2-3-6-16(15)23-10-4-9-21-23)22-19(24)17-13-7-8-14(11-13)18(17)20/h2-6,9-10,12-14,17-18H,7-8,11,20H2,1H3,(H,22,24)
InChIKeyJSBRSCHFMZJJDC-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119781657) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119781657
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1-n1cccn1
InChIInChI=1S/C19H24N4O/c1-12(15-5-2-3-6-16(15)23-10-4-9-21-23)22-19(24)17-13-7-8-14(11-13)18(17)20/h2-6,9-10,12-14,17-18H,7-8,11,20H2,1H3,(H,22,24)
InChIKeyJSBRSCHFMZJJDC-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119781657) is 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1-n1cccn1.
What is the InChIKey of 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JSBRSCHFMZJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12(15-5-2-3-6-16(15)23-10-4-9-21-23)22-19(24)17-13-7-8-14(11-13)18(17)20/h2-6,9-10,12-14,17-18H,7-8,11,20H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119781657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).